2-[4-(bromomethyl)phenyl]-3-methyl-pentanenitrile

Systemtic Name: 2-[4-(bromomethyl)phenyl]-3-methyl-pentanenitrile Openeye Name: 2-[4-(bromomethyl)phenyl]-3-methyl-pentanenitrile CAS Name: 2-[4-(bromomethyl)phenyl]-3-methylpentanenitrile IUPAC Name: 2-[4-(bromomethyl)phenyl]-3-methylpentanenitrile Traditional Name: 2-[4-(bromomethyl)phenyl]-3-methyl-valeronitrile Formula: C13H16BrN MolecularWeight: 266.17684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN/c1-3-10(2)13(9-15)12-6-4-11(8-14)5-7-12/h4-7,10,13H,3,8H2,1-2H3