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

Systemtic Name: 6-bromanyl-3-(cyanomethyl)-2-propan-2-yl-benzenecarbonitrile Openeye Name: 6-bromo-3-(cyanomethyl)-2-isopropyl-benzonitrile CAS Name: 6-bromo-3-(cyanomethyl)-2-propan-2-ylbenzonitrile IUPAC Name: 6-bromo-3-(cyanomethyl)-2-propan-2-ylbenzonitrile Traditional Name: 6-bromo-3-(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(=C1C#N)Br)CC#N

Isomeric SMILES

CC(C)C1=C(C=CC(=C1C#N)Br)CC#N

InChI

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