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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-fluorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] (3S)-1-(4-fluorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] (3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-fluorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C20H18FN3O6 MolecularWeight: 415.371823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O6/c1-12-2-5-15(9-17(12)24(28)29)22-18(25)11-30-20(27)13-8-19(26)23(10-13)16-6-3-14(21)4-7-16/h2-7,9,13H,8,10-11H2,1H3,(H,22,25)/t13-/m0/s1