2-(3-methoxy-4-methyl-phenyl)-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(3-methoxy-4-methyl-phenyl)-3-oxidanylidene-hexanenitrile Openeye Name: 2-(3-methoxy-4-methyl-phenyl)-3-oxo-hexanenitrile CAS Name: 2-(3-methoxy-4-methylphenyl)-3-oxohexanenitrile IUPAC Name: 2-(3-methoxy-4-methylphenyl)-3-oxohexanenitrile Traditional Name: 3-keto-2-(3-methoxy-4-methyl-phenyl)hexanenitrile Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-4-5-13(16)12(9-15)11-7-6-10(2)14(8-11)17-3/h6-8,12H,4-5H2,1-3H3