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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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Physical Form 
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Molecular Weight (g/mol)

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Percent Purity

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Physical Form

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16 – 30 of 539 results
16

Methyl 3-nitrobenzoate, 98+%

CAS: 618-95-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

PubChem CID 69260
CAS 618-95-1
Molecular Weight (g/mol) 181.147
MDL Number MFCD00007250
SMILES COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate
IUPAC Name methyl 3-nitrobenzoate
InChI Key AXLYJLKKPUICKV-UHFFFAOYSA-N
Molecular Formula C8H7NO4
17

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

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
18

2,4-Dinitrobenzoic acid, 98%

CAS: 610-30-0 Molecular Formula: C7H4N2O6 Molecular Weight (g/mol): 212.117 MDL Number: MFCD00017006 InChI Key: ZIIGSRYPZWDGBT-UHFFFAOYSA-N Synonym: 2,4-dinitrobenzoic acid,benzoic acid, 2,4-dinitro,ccris 1766,acmc-20aoc2,2.4-dinitrobenzoic acid,benzoicacid, 2,4-dinitro,2,4-dinitrobenzoic acidanion,4-09-00-01239 beilstein handbook reference,aronis26960,1-carboxy-2,4-dinitrobenzene PubChem CID: 11880 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

PubChem CID 11880
CAS 610-30-0
Molecular Weight (g/mol) 212.117
MDL Number MFCD00017006
SMILES C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O
Synonym 2,4-dinitrobenzoic acid,benzoic acid, 2,4-dinitro,ccris 1766,acmc-20aoc2,2.4-dinitrobenzoic acid,benzoicacid, 2,4-dinitro,2,4-dinitrobenzoic acidanion,4-09-00-01239 beilstein handbook reference,aronis26960,1-carboxy-2,4-dinitrobenzene
InChI Key ZIIGSRYPZWDGBT-UHFFFAOYSA-N
Molecular Formula C7H4N2O6
19

3-Nitrophthalic acid, 95%

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007138 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

PubChem CID 69043
CAS 603-11-2
Molecular Weight (g/mol) 211.129
MDL Number MFCD00007138
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
Synonym 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid
InChI Key KFIRODWJCYBBHY-UHFFFAOYSA-N
Molecular Formula C8H5NO6
20

2-Nitrobenzoic acid, 95%

CAS: 552-16-9 Molecular Formula: C7H5NO4 Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

PubChem CID 11087
CAS 552-16-9
Molecular Weight (g/mol) 167.12
ChEBI CHEBI:25620
MDL Number MFCD00007137
SMILES C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
Synonym 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid
InChI Key SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Formula C7H5NO4
21

Methyl 3-nitrobenzoate, 98%

CAS: 618-95-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

PubChem CID 69260
CAS 618-95-1
Molecular Weight (g/mol) 181.15
MDL Number MFCD00007250
SMILES COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate
IUPAC Name methyl 3-nitrobenzoate
InChI Key AXLYJLKKPUICKV-UHFFFAOYSA-N
Molecular Formula C8H7NO4
22

3-Nitrophthalic acid, 95%

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.13 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

PubChem CID 69043
CAS 603-11-2
Molecular Weight (g/mol) 211.13
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
Synonym 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid
InChI Key KFIRODWJCYBBHY-UHFFFAOYSA-N
Molecular Formula C8H5NO6
23

Methyl 4-fluoro-3-nitrobenzoate, 98%

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
24

3-Hydroxy-4-nitrobenzoic acid, 98%

CAS: 619-14-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007110 InChI Key: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonym: 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid PubChem CID: 69265 IUPAC Name: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O

PubChem CID 69265
CAS 619-14-7
Molecular Weight (g/mol) 183.12
MDL Number MFCD00007110
SMILES OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O
Synonym 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid
IUPAC Name 3-hydroxy-4-nitrobenzoic acid
InChI Key XLDLRRGZWIEEHT-UHFFFAOYSA-N
Molecular Formula C7H5NO5
25

2-Chloro-3-nitrobenzoic acid, 98%

CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O

PubChem CID 19870
CAS 3970-35-2
Molecular Weight (g/mol) 201.562
MDL Number MFCD00007069
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
Synonym 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid
InChI Key JRQDVRIQJJPHEQ-UHFFFAOYSA-N
Molecular Formula C7H4ClNO4
26

4-Fluoro-3-nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 878572-17-9 Molecular Formula: C8H3F4NO4 Molecular Weight (g/mol): 253.109 MDL Number: MFCD08282778 InChI Key: XCZRYPKVIJEHSU-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl PubChem CID: 24721083 IUPAC Name: 4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid SMILES: C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O

PubChem CID 24721083
CAS 878572-17-9
Molecular Weight (g/mol) 253.109
MDL Number MFCD08282778
SMILES C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O
Synonym 4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl
IUPAC Name 4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid
InChI Key XCZRYPKVIJEHSU-UHFFFAOYSA-N
Molecular Formula C8H3F4NO4
27

3-Nitrosalicylic acid, 98%

CAS: 85-38-1 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 InChI Key: WWWFHFGUOIQNJC-UHFFFAOYSA-N Synonym: 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q PubChem CID: 6807 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O

PubChem CID 6807
CAS 85-38-1
Molecular Weight (g/mol) 183.12
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
Synonym 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q
InChI Key WWWFHFGUOIQNJC-UHFFFAOYSA-N
Molecular Formula C7H5NO5
28

Ethyl 2-nitrobenzoate, 97%

CAS: 610-34-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00014696 InChI Key: CPNMAYYYYSWTIV-UHFFFAOYSA-N Synonym: ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester PubChem CID: 69123 IUPAC Name: ethyl 2-nitrobenzoate SMILES: CCOC(=O)C1=CC=CC=C1[N+]([O-])=O

PubChem CID 69123
CAS 610-34-4
Molecular Weight (g/mol) 195.17
MDL Number MFCD00014696
SMILES CCOC(=O)C1=CC=CC=C1[N+]([O-])=O
Synonym ethyl o-nitrobenzoate,ethyl nitrobenzoate,benzoic acid, o-nitro-, ethyl ester,benzoic acid, 2-nitro-, ethyl ester,nitrobenzoesaureathylester,acmc-1aul6,2-nitro-benzoic acid ethyl ester
IUPAC Name ethyl 2-nitrobenzoate
InChI Key CPNMAYYYYSWTIV-UHFFFAOYSA-N
Molecular Formula C9H9NO4
29

Methyl 2-chloro-4-nitrobenzoate, 98%

CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

PubChem CID 83343
CAS 13324-11-3
Molecular Weight (g/mol) 215.59
MDL Number MFCD00017013
SMILES COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester
IUPAC Name methyl 2-chloro-4-nitrobenzoate
InChI Key PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular Formula C8H6ClNO4
30

3-Nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 328-80-3 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00024509 InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 PubChem CID: 616602 SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

PubChem CID 616602
CAS 328-80-3
Molecular Weight (g/mol) 235.118
MDL Number MFCD00024509
SMILES C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012
InChI Key ODCLHXGXGFBBTA-UHFFFAOYSA-N
Molecular Formula C8H4F3NO4