4-tert-butyl-3,6-dimethyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-tert-butyl-3,6-dimethyl-benzene-1,2-dicarbonitrile Openeye Name: 4-tert-butyl-3,6-dimethyl-phthalonitrile CAS Name: 4-tert-butyl-3,6-dimethylbenzene-1,2-dicarbonitrile IUPAC Name: 4-tert-butyl-3,6-dimethylbenzene-1,2-dicarbonitrile Traditional Name: 4-tert-butyl-3,6-dimethyl-phthalonitrile Formula: C14H16N2 MolecularWeight: 212.29024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C#N)C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C#N)C#N)C)C(C)(C)C

InChI

InChI=1S/C14H16N2/c1-9-6-13(14(3,4)5)10(2)12(8-16)11(9)7-15/h6H,1-5H3