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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (E)-3-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H17N3O3 MolecularWeight: 359.37798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3/c22-13-4-14-24(19-5-2-1-3-6-19)20(25)16-27-21(26)12-11-17-7-9-18(15-23)10-8-17/h1-3,5-12H,4,14,16H2/b12-11+