[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)C2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C21H19N3O3/c1-15-10-16(2)12-19(11-15)24(9-3-8-22)20(25)14-27-21(26)18-6-4-17(13-23)5-7-18/h4-7,10-12H,3,9,14H2,1-2H3