[(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1S)-2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1S)-2-(3-acetylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C22H18N2O5/c1-15(25)17-10-7-11-18(14-17)23-21(26)20(16-8-3-2-4-9-16)29-22(27)19-12-5-6-13-24(19)28/h2-14,20H,1H3,(H,23,26)/t20-/m0/s1