2-(2,4-dimethylphenyl)propanenitrile; propane

Systemtic Name: 2-(2,4-dimethylphenyl)propanenitrile; propane Openeye Name: 2-(2,4-dimethylphenyl)propanenitrile; propane CAS Name: 2-(2,4-dimethylphenyl)propanenitrile; propane IUPAC Name: 2-(2,4-dimethylphenyl)propanenitrile; propane Traditional Name: 2-(2,4-dimethylphenyl)propionitrile; n-propane Formula: C14H21N MolecularWeight: 203.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC.CC1=CC(=C(C=C1)C(C)C#N)C

Isomeric SMILES

CCC.CC1=CC(=C(C=C1)C(C)C#N)C

InChI

InChI=1S/C11H13N.C3H8/c1-8-4-5-11(9(2)6-8)10(3)7-12;1-3-2/h4-6,10H,1-3H3;3H2,1-2H3