cyanomethyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: cyanomethyl 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: cyanomethyl 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(3,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid cyanomethyl ester Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CCC(=O)OCC#N)OC

InChI

InChI=1S/C14H15NO5/c1-18-12-5-3-10(9-13(12)19-2)11(16)4-6-14(17)20-8-7-15/h3,5,9H,4,6,8H2,1-2H3