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59L

Summary
Name:2-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid
Formula:C15 H12 N2 O6
Formal charge:0
Formula weight:316.266 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(2-carboxy-5-nitrophenyl)amino]-3-methylbenzoic acid
OpenEye OEToolkits1.9.22-[(2-carboxy-5-nitro-phenyl)amino]-3-methyl-benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1c(c(c(cc1)C)Nc2cc([N+]([O-])=O)ccc2C(O)=O)C(=O)O
InChIInChI1.03InChI=1S/C15H12N2O6/c1-8-3-2-4-11(15(20)21)13(8)16-12-7-9(17(22)23)5-6-10(12)14(18)19/h2-7,16H,1H3,(H,18,19)(H,20,21)
InChIKeyInChI1.03LKOWRACJCMMHTL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(C(O)=O)c1Nc2cc(ccc2C(O)=O)[N+]([O-])=O
SMILESCACTVS3.385Cc1cccc(C(O)=O)c1Nc2cc(ccc2C(O)=O)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.9.2Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O
SMILESOpenEye OEToolkits1.9.2Cc1cccc(c1Nc2cc(ccc2C(=O)O)[N+](=O)[O-])C(=O)O

223532

PDB entries from 2024-08-07

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