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

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O5/c1-28-18-11-10-15(13-16(18)22)23-20(25)19(14-7-3-2-4-8-14)29-21(26)17-9-5-6-12-24(17)27/h2-13,19H,1H3,(H,23,25)/t19-/m0/s1