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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-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-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-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-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C20H17ClN2O6 MolecularWeight: 416.81178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN2O6/c1-12-2-7-16(9-17(12)23(27)28)22-10-14(8-19(22)25)20(26)29-11-18(24)13-3-5-15(21)6-4-13/h2-7,9,14H,8,10-11H2,1H3/t14-/m0/s1