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

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-[(3-methylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 1-[(3-methylbenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[[(3-methylphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 1-[(3-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(m-toluoylamino)pyrrolidine-3-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O7/c1-13-4-3-5-15(8-13)21(29)24-25-11-16(9-20(25)28)22(30)33-12-19(27)23-17-7-6-14(2)18(10-17)26(31)32/h3-8,10,16H,9,11-12H2,1-2H3,(H,23,27)(H,24,29)