2-[1-(3,4-dimethoxyphenyl)-4-oxidanylidene-cyclohex-2-en-1-yl]ethanenitrile

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)-4-oxidanylidene-cyclohex-2-en-1-yl]ethanenitrile Openeye Name: 2-[1-(3,4-dimethoxyphenyl)-4-oxo-cyclohex-2-en-1-yl]acetonitrile CAS Name: 2-[1-(3,4-dimethoxyphenyl)-4-oxo-1-cyclohex-2-enyl]acetonitrile IUPAC Name: 2-[1-(3,4-dimethoxyphenyl)-4-oxocyclohex-2-en-1-yl]acetonitrile Traditional Name: 2-[1-(3,4-dimethoxyphenyl)-4-keto-cyclohex-2-en-1-yl]acetonitrile Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3/c1-19-14-4-3-12(11-15(14)20-2)16(9-10-17)7-5-13(18)6-8-16/h3-5,7,11H,6,8-9H2,1-2H3