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

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-methylanilino)-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-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-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-(o-toluidino)ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-13-5-3-4-6-17(13)22-19(25)12-30-21(27)15-9-20(26)23(11-15)16-8-7-14(2)18(10-16)24(28)29/h3-8,10,15H,9,11-12H2,1-2H3,(H,22,25)/t15-/m0/s1