[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-bromophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1-(2-bromophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(2-bromophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(2-bromophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H20BrN3O4 MolecularWeight: 470.3159

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC=CC=C2Br)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1C(CN(C1=O)C2=CC=CC=C2Br)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H20BrN3O4/c23-18-9-4-5-10-19(18)26-14-16(13-20(26)27)22(29)30-15-21(28)25(12-6-11-24)17-7-2-1-3-8-17/h1-5,7-10,16H,6,12-15H2