[2-oxidanylidene-2-[[2-[(phenylmethyl)carbamoyl]phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-[(phenylmethyl)carbamoyl]phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[2-(benzylcarbamoyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-[2-[oxo-[(phenylmethyl)amino]methyl]anilino]ethyl] ester IUPAC Name: [2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[2-(benzylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H19N3O5/c26-20(15-30-22(28)19-12-6-7-13-25(19)29)24-18-11-5-4-10-17(18)21(27)23-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,23,27)(H,24,26)