3-(cyanomethyl)-5-(2-methylpropyl)benzenecarbonitrile

Systemtic Name: 3-(cyanomethyl)-5-(2-methylpropyl)benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-5-isobutyl-benzonitrile CAS Name: 3-(cyanomethyl)-5-(2-methylpropyl)benzonitrile IUPAC Name: 3-(cyanomethyl)-5-(2-methylpropyl)benzonitrile Traditional Name: 3-(cyanomethyl)-5-isobutyl-benzonitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2/c1-10(2)5-12-6-11(3-4-14)7-13(8-12)9-15/h6-8,10H,3,5H2,1-2H3