2-[[4-(bromomethyl)-2,6-dimethyl-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-(bromomethyl)-2,6-dimethyl-phenoxy]methyl]benzenecarbonitrile Openeye Name: 2-[[4-(bromomethyl)-2,6-dimethyl-phenoxy]methyl]benzonitrile CAS Name: 2-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]benzonitrile IUPAC Name: 2-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]benzonitrile Traditional Name: 2-[[4-(bromomethyl)-2,6-dimethyl-phenoxy]methyl]benzonitrile Formula: C17H16BrNO MolecularWeight: 330.21904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=C2C#N)C)CBr

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=C2C#N)C)CBr

InChI

InChI=1S/C17H16BrNO/c1-12-7-14(9-18)8-13(2)17(12)20-11-16-6-4-3-5-15(16)10-19/h3-8H,9,11H2,1-2H3