[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 1-(3-chloro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(3-chloro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20BrClN2O4 MolecularWeight: 479.7515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=C(C=C3)Br)C)Cl

InChI

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