[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H18BrN3O4/c21-16-9-7-15(8-10-16)20(27)23-13-19(26)28-14-18(25)24(12-4-11-22)17-5-2-1-3-6-17/h1-3,5-10H,4,12-14H2,(H,23,27)