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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(4-bromophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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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)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN2O4/c1-13-3-6-17(9-14(13)2)23-19(25)12-28-21(27)15-10-20(26)24(11-15)18-7-4-16(22)5-8-18/h3-9,15H,10-12H2,1-2H3,(H,23,25)