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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenethylcarbamoyl)phenyl]amino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-[2-(phenethylcarbamoyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[2-[oxo-(phenethylamino)methyl]anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(phenethylcarbamoyl)anilino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[2-(phenethylcarbamoyl)anilino]ethyl] ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c27-21(16-31-23(29)18-11-14-26(30)15-12-18)25-20-9-5-4-8-19(20)22(28)24-13-10-17-6-2-1-3-7-17/h1-9,11-12,14-15H,10,13,16H2,(H,24,28)(H,25,27)