[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 1-[(4-nitrobenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-[[(4-nitrophenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 1-[(4-nitrobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-[(4-nitrobenzoyl)amino]pyrrolidine-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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