2-(3-cyanopentan-3-yl)benzenecarbonitrile

Systemtic Name: 2-(3-cyanopentan-3-yl)benzenecarbonitrile Openeye Name: 2-(1-cyano-1-ethyl-propyl)benzonitrile CAS Name: 2-(3-cyanopentan-3-yl)benzonitrile IUPAC Name: 2-(3-cyanopentan-3-yl)benzonitrile Traditional Name: 2-(1-cyano-1-ethyl-propyl)benzonitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#N)C1=CC=CC=C1C#N

Isomeric SMILES

CCC(CC)(C#N)C1=CC=CC=C1C#N

InChI

InChI=1S/C13H14N2/c1-3-13(4-2,10-15)12-8-6-5-7-11(12)9-14/h5-8H,3-4H2,1-2H3