[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H17BrN2O3 MolecularWeight: 413.26458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3/c21-17-10-7-16(8-11-17)9-12-20(25)26-15-19(24)23(14-4-13-22)18-5-2-1-3-6-18/h1-3,5-12H,4,14-15H2/b12-9+