2-chloranyl-3-(cyanomethyl)-5-(2-methylpropyl)benzenecarbonitrile

Systemtic Name: 2-chloranyl-3-(cyanomethyl)-5-(2-methylpropyl)benzenecarbonitrile Openeye Name: 2-chloro-3-(cyanomethyl)-5-isobutyl-benzonitrile CAS Name: 2-chloro-3-(cyanomethyl)-5-(2-methylpropyl)benzonitrile IUPAC Name: 2-chloro-3-(cyanomethyl)-5-(2-methylpropyl)benzonitrile Traditional Name: 2-chloro-3-(cyanomethyl)-5-isobutyl-benzonitrile Formula: C13H13ClN2 MolecularWeight: 232.70872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C(=C1)C#N)Cl)CC#N

Isomeric SMILES

CC(C)CC1=CC(=C(C(=C1)C#N)Cl)CC#N

InChI

InChI=1S/C13H13ClN2/c1-9(2)5-10-6-11(3-4-15)13(14)12(7-10)8-16/h6-7,9H,3,5H2,1-2H3