[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-2-cyano-prop-2-enoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-2-cyano-prop-2-enoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-(4-chlorophenyl)-2-cyano-prop-2-enoate CAS Name: 3-(4-chlorophenyl)-2-cyano-2-propenoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(4-chlorophenyl)-2-cyanoprop-2-enoate Traditional Name: 3-(4-chlorophenyl)-2-cyano-acrylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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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)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3O3/c22-18-9-7-16(8-10-18)13-17(14-24)21(27)28-15-20(26)25(12-4-11-23)19-5-2-1-3-6-19/h1-3,5-10,13H,4,12,15H2