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

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methoxycarbonylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 1-(4-methoxycarbonylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-methoxycarbonylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 1-(4-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(4-carbomethoxyphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C22H21BrN2O6 MolecularWeight: 489.31594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O6/c1-13-9-16(23)5-8-18(13)24-19(26)12-31-22(29)15-10-20(27)25(11-15)17-6-3-14(4-7-17)21(28)30-2/h3-9,15H,10-12H2,1-2H3,(H,24,26)