2-[2-(5-oxidanylidenecyclohexa-1,3-dien-1-yl)propan-2-yl]pentanenitrile

Systemtic Name: 2-[2-(5-oxidanylidenecyclohexa-1,3-dien-1-yl)propan-2-yl]pentanenitrile Openeye Name: 2-[1-methyl-1-(5-oxocyclohexa-1,3-dien-1-yl)ethyl]pentanenitrile CAS Name: 2-[2-(5-oxo-1-cyclohexa-1,3-dienyl)propan-2-yl]pentanenitrile IUPAC Name: 2-[2-(5-oxocyclohexa-1,3-dien-1-yl)propan-2-yl]pentanenitrile Traditional Name: 2-[1-(5-ketocyclohexa-1,3-dien-1-yl)-1-methyl-ethyl]valeronitrile Formula: C14H19NO MolecularWeight: 217.30676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO/c1-4-6-12(10-15)14(2,3)11-7-5-8-13(16)9-11/h5,7-8,12H,4,6,9H2,1-3H3