2-tert-butyl-4-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 2-tert-butyl-4-(cyanomethyl)benzenecarbonitrile Openeye Name: 2-tert-butyl-4-(cyanomethyl)benzonitrile CAS Name: 2-tert-butyl-4-(cyanomethyl)benzonitrile IUPAC Name: 2-tert-butyl-4-(cyanomethyl)benzonitrile Traditional Name: 2-tert-butyl-4-(cyanomethyl)benzonitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2/c1-13(2,3)12-8-10(6-7-14)4-5-11(12)9-15/h4-5,8H,6H2,1-3H3