[(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-phenylanilino)ethyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)OC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C21H18N2O4/c1-15(27-21(25)17-11-13-23(26)14-12-17)20(24)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-15H,1H3,(H,22,24)/t15-/m1/s1