[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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