2-(3-bromanyl-2,6-diethyl-phenyl)ethanenitrile

Systemtic Name: 2-(3-bromanyl-2,6-diethyl-phenyl)ethanenitrile Openeye Name: 2-(3-bromo-2,6-diethyl-phenyl)acetonitrile CAS Name: 2-(3-bromo-2,6-diethylphenyl)acetonitrile IUPAC Name: 2-(3-bromo-2,6-diethylphenyl)acetonitrile Traditional Name: 2-(3-bromo-2,6-diethyl-phenyl)acetonitrile Formula: C12H14BrN MolecularWeight: 252.15026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrN/c1-3-9-5-6-12(13)10(4-2)11(9)7-8-14/h5-6H,3-4,7H2,1-2H3