5-tert-butyl-2-chloranyl-3-(cyanomethyl)benzenecarbonitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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