[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (3R)-1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (3R)-1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (3R)-1-[(4-nitrobenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[(4-nitrophenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (3R)-1-[(4-nitrobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[(4-nitrobenzoyl)amino]pyrrolidine-3-carboxylic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c1-13-2-4-14(5-3-13)18(25)12-31-21(28)16-10-19(26)23(11-16)22-20(27)15-6-8-17(9-7-15)24(29)30/h2-9,16H,10-12H2,1H3,(H,22,27)/t16-/m1/s1