[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(2,4-dimethoxyphenyl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-(2,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(2,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H15NO5 MolecularWeight: 325.3154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C18H15NO5/c1-22-14-7-8-15(17(9-14)23-2)16(20)11-24-18(21)13-5-3-12(10-19)4-6-13/h3-9H,11H2,1-2H3