2-[1-(4-methylphenyl)-3-oxidanylidene-butyl]propanedinitrile

Systemtic Name: 2-[1-(4-methylphenyl)-3-oxidanylidene-butyl]propanedinitrile Openeye Name: 2-[3-oxo-1-(p-tolyl)butyl]propanedinitrile CAS Name: 2-[1-(4-methylphenyl)-3-oxobutyl]propanedinitrile IUPAC Name: 2-[1-(4-methylphenyl)-3-oxobutyl]propanedinitrile Traditional Name: 2-[3-keto-1-(p-tolyl)butyl]malononitrile Formula: C14H14N2O MolecularWeight: 226.27376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O/c1-10-3-5-12(6-4-10)14(7-11(2)17)13(8-15)9-16/h3-6,13-14H,7H2,1-2H3