propan-2-yl (2S)-2-[(4-methoxyphenyl)amino]-4-(3-nitrophenyl)-4-oxidanylidene-butanoate

Systemtic Name: propan-2-yl (2S)-2-[(4-methoxyphenyl)amino]-4-(3-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: isopropyl (2S)-2-(4-methoxyanilino)-4-(3-nitrophenyl)-4-oxo-butanoate CAS Name: (2S)-2-(4-methoxyanilino)-4-(3-nitrophenyl)-4-oxobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-(4-methoxyanilino)-4-(3-nitrophenyl)-4-oxobutanoate Traditional Name: (2S)-4-keto-4-(3-nitrophenyl)-2-(p-anisidino)butyric acid isopropyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)OC(=O)[C@H](CC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H22N2O6/c1-13(2)28-20(24)18(21-15-7-9-17(27-3)10-8-15)12-19(23)14-5-4-6-16(11-14)22(25)26/h4-11,13,18,21H,12H2,1-3H3/t18-/m0/s1