2-(3,4-dimethoxyphenyl)-4-methyl-3-oxidanylidene-heptanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-methyl-3-oxidanylidene-heptanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-4-methyl-3-oxo-heptanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-4-methyl-3-oxoheptanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-methyl-3-oxoheptanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-3-keto-4-methyl-enanthonitrile Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)C(C#N)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CCCC(C)C(=O)C(C#N)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H21NO3/c1-5-6-11(2)16(18)13(10-17)12-7-8-14(19-3)15(9-12)20-4/h7-9,11,13H,5-6H2,1-4H3