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Nitrobenzoic acids and derivatives

Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.
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Molecular Weight (g/mol)

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Physical Form

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Grade

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1 – 15 of 188 results
1

5,5'-Dithiobis-(2-nitrobenzoic acid), 99%, Thermo Scientific Chemicals

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

PubChem CID 6254
CAS 69-78-3
Molecular Weight (g/mol) 396.34
ChEBI CHEBI:86228
MDL Number MFCD00007140
SMILES OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula C14H8N2O8S2
2

3,5-Dinitrobenzoic acid, 98+%, Thermo Scientific Chemicals

CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 7433
CAS 99-34-3
Molecular Weight (g/mol) 212.12
ChEBI CHEBI:73914
MDL Number MFCD00007253
SMILES OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid
IUPAC Name 3,5-dinitrobenzoic acid
InChI Key VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Molecular Formula C7H4N2O6
3

4-Nitrobenzoic acid, 99+%, Thermo Scientific Chemicals

CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

PubChem CID 6108
CAS 62-23-7
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:262350
MDL Number MFCD00007352
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula C7H5NO4
4

Nitroterephthalic acid, 99+%, Thermo Scientific Chemicals

CAS: 610-29-7 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 MDL Number: MFCD00007141 InChI Key: QUMITRDILMWWBC-UHFFFAOYSA-N Synonym: nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u PubChem CID: 69122 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O

PubChem CID 69122
CAS 610-29-7
Molecular Weight (g/mol) 211.13
MDL Number MFCD00007141
SMILES C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)O
Synonym nitroterephthalic acid,2-nitroterephthalic acid,2-nitrobenzene-1,4-dicarboxylic acid,1,4-benzenedicarboxylic acid, 2-nitro,terephthalic acid, nitro,2-nitroterephthalicacid,2-nitroterephthalate,5-nitroterephthalic acid,acmc-1au2u
InChI Key QUMITRDILMWWBC-UHFFFAOYSA-N
Molecular Formula C8H5NO6
5

4-Nitrobenzoic acid, 99%, Thermo Scientific Chemicals

CAS: 62-23-7 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007352 InChI Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N Synonym: 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova PubChem CID: 6108 ChEBI: CHEBI:262350 SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

PubChem CID 6108
CAS 62-23-7
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:262350
MDL Number MFCD00007352
SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
Synonym 4-nitrobenzoic acid,p-nitrobenzoic acid,benzoic acid, 4-nitro,nitrodracylic acid,4-nitrodracylic acid,1-carboxy-4-nitrobenzene,benzoic acid, p-nitro,p-nitrobenzoicacid,p-nitrobenzenecarboxylic acid,kyselina p-nitrobenzoova
InChI Key OTLNPYWUJOZPPA-UHFFFAOYSA-N
Molecular Formula C7H5NO4
6

4-Fluoro-3-nitrobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid PubChem CID: 67987 IUPAC Name: 4-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

PubChem CID 67987
CAS 453-71-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD00007058
SMILES OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid
IUPAC Name 4-fluoro-3-nitrobenzoic acid
InChI Key BOJWTAQWPVBIPG-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
7

5,5'-Dithiobis(2-nitrobenzoic acid), 99%, Thermo Scientific Chemicals

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

PubChem CID 6254
CAS 69-78-3
Molecular Weight (g/mol) 396.34
ChEBI CHEBI:86228
MDL Number MFCD00007140
SMILES OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula C14H8N2O8S2
9

3,5-Dinitrobenzoic acid, 98+%, Thermo Scientific Chemicals

CAS: 99-34-3 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.12 MDL Number: MFCD00007253 InChI Key: VYWYYJYRVSBHJQ-UHFFFAOYSA-N Synonym: 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid PubChem CID: 7433 ChEBI: CHEBI:73914 IUPAC Name: 3,5-dinitrobenzoic acid SMILES: OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O

PubChem CID 7433
CAS 99-34-3
Molecular Weight (g/mol) 212.12
ChEBI CHEBI:73914
MDL Number MFCD00007253
SMILES OC(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O
Synonym 3,5-dinitrobenzoic acid,dinitrobenzoic acid,dnba,benzoic acid, 3,5-dinitro,3-carboxy-1,5-dinitrobenzene,3,5-dinitro-benzoic acid,unii-4v3f9q018p,ccris 3129,3,5-dnba,3,5-dinitrobenzenecarboxylic acid
IUPAC Name 3,5-dinitrobenzoic acid
InChI Key VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Molecular Formula C7H4N2O6
10

Methyl 3-methoxy-2-nitrobenzoate, 98%, Thermo Scientific Chemicals

CAS: 5307-17-5 Molecular Formula: C9H9NO5 Molecular Weight (g/mol): 211.17 MDL Number: MFCD00051968 InChI Key: FDQQRLPHAAICCR-UHFFFAOYSA-N Synonym: benzoic acid, 3-methoxy-2-nitro-, methyl ester,3-methoxy-2-nitrobenzoic acid methyl ester,m-anisic acid, 2-nitro-, methyl ester,maybridge1_002124,cbmicro_008502,methyl 2-nitro-m-anisate,methyl 3-methoxy-2-nitro-benzoate,2-nitro-m-anisic acid methyl ester,3-methoxy-2-nitro-benzoic acid methyl ester PubChem CID: 79195 IUPAC Name: methyl 3-methoxy-2-nitrobenzoate SMILES: COC(=O)C1=CC=CC(OC)=C1[N+]([O-])=O

PubChem CID 79195
CAS 5307-17-5
Molecular Weight (g/mol) 211.17
MDL Number MFCD00051968
SMILES COC(=O)C1=CC=CC(OC)=C1[N+]([O-])=O
Synonym benzoic acid, 3-methoxy-2-nitro-, methyl ester,3-methoxy-2-nitrobenzoic acid methyl ester,m-anisic acid, 2-nitro-, methyl ester,maybridge1_002124,cbmicro_008502,methyl 2-nitro-m-anisate,methyl 3-methoxy-2-nitro-benzoate,2-nitro-m-anisic acid methyl ester,3-methoxy-2-nitro-benzoic acid methyl ester
IUPAC Name methyl 3-methoxy-2-nitrobenzoate
InChI Key FDQQRLPHAAICCR-UHFFFAOYSA-N
Molecular Formula C9H9NO5
11

Methyl 4-fluoro-3-nitrobenzoate, 98%, Thermo Scientific Chemicals

CAS: 329-59-9 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD00196161 InChI Key: CNJJSTPBUHAEFH-UHFFFAOYSA-N Synonym: methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate PubChem CID: 5219721 IUPAC Name: methyl 4-fluoro-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O

PubChem CID 5219721
CAS 329-59-9
Molecular Weight (g/mol) 199.14
MDL Number MFCD00196161
SMILES COC(=O)C1=CC(=C(F)C=C1)[N+]([O-])=O
Synonym methyl 4-fluoro-3-nitro-benzoate,4-fluoro-3-nitrobenzoic acid methyl ester,4-fluoro-3-nitro-benzoic acid methyl ester,benzoic acid, 4-fluoro-3-nitro-, methyl ester,pubchem2045,acmc-209hxf,methyl 4-fluoro-3 nitrobenzoate,4-carbomethoxy-2-nitrofluorobenzene,methyl4-fluoro-3-nitrobenzoate
IUPAC Name methyl 4-fluoro-3-nitrobenzoate
InChI Key CNJJSTPBUHAEFH-UHFFFAOYSA-N
Molecular Formula C8H6FNO4
12

2-Fluoro-6-nitrobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 385-02-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD01862079 InChI Key: MPDZCNPDHUUPRL-UHFFFAOYSA-N Synonym: 2-fluoro-6-nitrobenzoic acid,2-fluoro-6-nitrobenzoicacid,6-fluoro-2-nitrobenzoic acid,2-carboxy-3-fluoronitrobenzene,2-fluoro-6-nitro-benzoic acid,benzoic acid, 2-fluoro-6-nitro,pubchem1308,6-fluoro-nitrobenzoic acid,acmc-209j0j,ksc222c6b PubChem CID: 603758 SMILES: C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]

PubChem CID 603758
CAS 385-02-4
Molecular Weight (g/mol) 185.11
MDL Number MFCD01862079
SMILES C1=CC(=C(C(=C1)F)C(=O)O)[N+](=O)[O-]
Synonym 2-fluoro-6-nitrobenzoic acid,2-fluoro-6-nitrobenzoicacid,6-fluoro-2-nitrobenzoic acid,2-carboxy-3-fluoronitrobenzene,2-fluoro-6-nitro-benzoic acid,benzoic acid, 2-fluoro-6-nitro,pubchem1308,6-fluoro-nitrobenzoic acid,acmc-209j0j,ksc222c6b
InChI Key MPDZCNPDHUUPRL-UHFFFAOYSA-N
Molecular Formula C7H4FNO4
13

2,5-Difluoro-4-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 116465-48-6 Molecular Formula: C7H3F2NO4 Molecular Weight (g/mol): 203.101 MDL Number: MFCD03425705 InChI Key: GPTNSBLYGCZJQV-UHFFFAOYSA-N Synonym: 2,5-difluoro-4-nitrobenzoic acid,2,5-difluoro-4-nitrobenzenecarboxylic acid,2,5-difluoro-4-nitrobenzic acid,2,5-difluoro-4-nitrobenzoicacid,2,5-difluoro-4-nitro-benzoic acid,benzoic acid, 2,5-difluoro-4-nitro,2,5-difluoro-4-nitrobenzenecarboxylicacid,pubchem9789,acmc-2099sr,ksc495m6l PubChem CID: 246375 SMILES: C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O

PubChem CID 246375
CAS 116465-48-6
Molecular Weight (g/mol) 203.101
MDL Number MFCD03425705
SMILES C1=C(C(=CC(=C1F)[N+](=O)[O-])F)C(=O)O
Synonym 2,5-difluoro-4-nitrobenzoic acid,2,5-difluoro-4-nitrobenzenecarboxylic acid,2,5-difluoro-4-nitrobenzic acid,2,5-difluoro-4-nitrobenzoicacid,2,5-difluoro-4-nitro-benzoic acid,benzoic acid, 2,5-difluoro-4-nitro,2,5-difluoro-4-nitrobenzenecarboxylicacid,pubchem9789,acmc-2099sr,ksc495m6l
InChI Key GPTNSBLYGCZJQV-UHFFFAOYSA-N
Molecular Formula C7H3F2NO4
14

3-Methoxy-4-nitrobenzoic acid, 98+%, Thermo Scientific Chemicals

CAS: 5081-36-7 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00007353 InChI Key: PWURRRRGLCVBMX-UHFFFAOYSA-N Synonym: 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid PubChem CID: 78764 SMILES: COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 78764
CAS 5081-36-7
Molecular Weight (g/mol) 197.146
MDL Number MFCD00007353
SMILES COC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
Synonym 3-methoxy-4-nitrobenzoic acid,4-nitro-3-methoxybenzoic acid,4-nitro-m-anisic acid,benzoic acid, 3-methoxy-4-nitro,3-methoxy-4-nitrobenzoicacid,pubchem3918,acmc-1bn9s,ksc270m6t,3-methoxy4-nitro-benzoic acid,3-methoxy-4-nitro-benzoic acid
InChI Key PWURRRRGLCVBMX-UHFFFAOYSA-N
Molecular Formula C8H7NO5
15

2-Methyl-6-nitrobenzoic acid, 98%, Thermo Scientific Chemicals

CAS: 13506-76-8 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007267 InChI Key: CCXSGQZMYLXTOI-UHFFFAOYSA-N Synonym: 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid PubChem CID: 16097 SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O

PubChem CID 16097
CAS 13506-76-8
Molecular Weight (g/mol) 181.147
MDL Number MFCD00007267
SMILES CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
Synonym 2-methyl-6-nitrobenzoic acid,6-nitro-o-toluic acid,benzoic acid, 2-methyl-6-nitro,6-methyl-2-nitrobenzoic acid,2-methyl-6-nitro-benzoic acid,o-toluic acid, 6-nitro,2-methyl-6-nitrobenzoicacid,unii-jm85y56dx1,nitrotoluylsaure,nitro-ortho-toluic acid
InChI Key CCXSGQZMYLXTOI-UHFFFAOYSA-N
Molecular Formula C8H7NO4