3-tert-butyl-5-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 3-tert-butyl-5-(cyanomethyl)benzenecarbonitrile Openeye Name: 3-tert-butyl-5-(cyanomethyl)benzonitrile CAS Name: 3-tert-butyl-5-(cyanomethyl)benzonitrile IUPAC Name: 3-tert-butyl-5-(cyanomethyl)benzonitrile Traditional Name: 3-tert-butyl-5-(cyanomethyl)benzonitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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