[2-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2,6-dimethyl-anilino)-2-oxo-ethyl] 1-(3-chlorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(3-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl] 1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(3-chlorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H20BrClN2O4 MolecularWeight: 479.7515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Cl)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC(=CC=C3)Cl)C)Br

InChI

InChI=1S/C21H20BrClN2O4/c1-12-6-15(22)7-13(2)20(12)24-18(26)11-29-21(28)14-8-19(27)25(10-14)17-5-3-4-16(23)9-17/h3-7,9,14H,8,10-11H2,1-2H3,(H,24,26)