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968

Summary
Name:2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID
Synonyms:COMPOUND 8B
Formula:C19 H13 N O6
Formal charge:0
Formula weight:351.31 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[(carboxycarbonyl)(7-hydroxynaphthalen-1-yl)amino]benzoic acid
OpenEye OEToolkits1.5.02-[carboxycarbonyl-(7-hydroxynaphthalen-1-yl)amino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1ccccc1N(c2c3c(ccc2)ccc(O)c3)C(=O)C(=O)O
SMILES_CANONICALCACTVS3.341Oc1ccc2cccc(N(C(=O)C(O)=O)c3ccccc3C(O)=O)c2c1
SMILESCACTVS3.341Oc1ccc2cccc(N(C(=O)C(O)=O)c3ccccc3C(O)=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)N(c2cccc3c2cc(cc3)O)C(=O)C(=O)O
InChIInChI1.03InChI=1S/C19H13NO6/c21-12-9-8-11-4-3-7-16(14(11)10-12)20(17(22)19(25)26)15-6-2-1-5-13(15)18(23)24/h1-10,21H,(H,23,24)(H,25,26)
InChIKeyInChI1.03IGOULVZYQKJJKC-UHFFFAOYSA-N

218196

PDB entries from 2024-04-10

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