[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methyl-3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (3S)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-methyl-3-nitro-phenyl)pyrrolidine-3-carboxylic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-13-3-6-15(7-4-13)19(24)12-29-21(26)16-9-20(25)22(11-16)17-8-5-14(2)18(10-17)23(27)28/h3-8,10,16H,9,11-12H2,1-2H3/t16-/m0/s1