4-[4-(bromomethyl)phenyl]-2-methyl-butanenitrile

Systemtic Name: 4-[4-(bromomethyl)phenyl]-2-methyl-butanenitrile Openeye Name: 4-[4-(bromomethyl)phenyl]-2-methyl-butanenitrile CAS Name: 4-[4-(bromomethyl)phenyl]-2-methylbutanenitrile IUPAC Name: 4-[4-(bromomethyl)phenyl]-2-methylbutanenitrile Traditional Name: 4-[4-(bromomethyl)phenyl]-2-methyl-butyronitrile Formula: C12H14BrN MolecularWeight: 252.15026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)CBr)C#N

Isomeric SMILES

CC(CCC1=CC=C(C=C1)CBr)C#N

InChI

InChI=1S/C12H14BrN/c1-10(9-14)2-3-11-4-6-12(8-13)7-5-11/h4-7,10H,2-3,8H2,1H3