[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C20H19NO3 MolecularWeight: 321.36976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H19NO3/c1-3-14-5-8-16(4-2)18(11-14)19(22)13-24-20(23)17-9-6-15(12-21)7-10-17/h5-11H,3-4,13H2,1-2H3