[2-oxidanylidene-2-[[2-[(phenylmethyl)carbamoyl]phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-[(phenylmethyl)carbamoyl]phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[2-(benzylcarbamoyl)anilino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=[N+](C=C3)[O-]

Isomeric SMILES

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

InChI

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