5-(2,4,4-trimethyl-6-oxidanylidene-cyclohexen-1-yl)pentanenitrile

Systemtic Name: 5-(2,4,4-trimethyl-6-oxidanylidene-cyclohexen-1-yl)pentanenitrile Openeye Name: 5-(2,4,4-trimethyl-6-oxo-cyclohexen-1-yl)pentanenitrile CAS Name: 5-(2,4,4-trimethyl-6-oxo-1-cyclohexenyl)pentanenitrile IUPAC Name: 5-(2,4,4-trimethyl-6-oxocyclohexen-1-yl)pentanenitrile Traditional Name: 5-(6-keto-2,4,4-trimethyl-cyclohexen-1-yl)valeronitrile Formula: C14H21NO MolecularWeight: 219.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC(C1)(C)C)CCCCC#N

Isomeric SMILES

CC1=C(C(=O)CC(C1)(C)C)CCCCC#N

InChI

InChI=1S/C14H21NO/c1-11-9-14(2,3)10-13(16)12(11)7-5-4-6-8-15/h4-7,9-10H2,1-3H3