3-bromanyl-4-(cyanomethyl)-2-propan-2-yl-benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-(cyanomethyl)-2-propan-2-yl-benzenecarbonitrile Openeye Name: 3-bromo-4-(cyanomethyl)-2-isopropyl-benzonitrile CAS Name: 3-bromo-4-(cyanomethyl)-2-propan-2-ylbenzonitrile IUPAC Name: 3-bromo-4-(cyanomethyl)-2-propan-2-ylbenzonitrile Traditional Name: 3-bromo-4-(cyanomethyl)-2-isopropyl-benzonitrile Formula: C12H11BrN2 MolecularWeight: 263.13314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1Br)CC#N)C#N

Isomeric SMILES

CC(C)C1=C(C=CC(=C1Br)CC#N)C#N

InChI

InChI=1S/C12H11BrN2/c1-8(2)11-10(7-15)4-3-9(5-6-14)12(11)13/h3-4,8H,5H2,1-2H3