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794

Summary
Name:2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID
Synonyms:COMPOUND 5
2-(NAPHTHALEN-1-YL-OXALYL-AMINO)-BENZOIC ACID
Formula:C19 H13 N O5
Formal charge:0
Formula weight:335.31 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(c2c1ccccc1ccc2)c3ccccc3C(=O)O)C(=O)O
SMILES_CANONICALCACTVS3.341OC(=O)C(=O)N(c1ccccc1C(O)=O)c2cccc3ccccc23
SMILESCACTVS3.341OC(=O)C(=O)N(c1ccccc1C(O)=O)c2cccc3ccccc23
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc2c(c1)cccc2N(c3ccccc3C(=O)O)C(=O)C(=O)O
InChIInChI1.03InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25)
InChIKeyInChI1.03WQWCUHJIERBOSM-UHFFFAOYSA-N

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건을2024-07-17부터공개중

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