[(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(1S)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1S)-2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-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-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-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=[N+](C=C3)[O-]

Isomeric SMILES

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

InChI

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