[2-[(4-bromanyl-3,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methoxy-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-3,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methoxy-4-nitro-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-3,5-dimethyl-anilino)-2-oxo-ethyl] 1-(2-methoxy-4-nitro-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(2-methoxy-4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3,5-dimethylanilino)-2-oxoethyl] 1-(2-methoxy-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 5-keto-1-(2-methoxy-4-nitro-phenyl)pyrrolidine-3-carboxylic acid [2-(4-bromo-3,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C22H22BrN3O7 MolecularWeight: 520.32998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Br)C)NC(=O)COC(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=CC(=C1Br)C)NC(=O)COC(=O)C2CC(=O)N(C2)C3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22BrN3O7/c1-12-6-15(7-13(2)21(12)23)24-19(27)11-33-22(29)14-8-20(28)25(10-14)17-5-4-16(26(30)31)9-18(17)32-3/h4-7,9,14H,8,10-11H2,1-3H3,(H,24,27)