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

Systemtic Name: [(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H18N2O5/c1-27-17-11-7-10-16(14-17)22-20(24)19(15-8-3-2-4-9-15)28-21(25)18-12-5-6-13-23(18)26/h2-14,19H,1H3,(H,22,24)/t19-/m0/s1