4-tert-butyl-3-methyl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-tert-butyl-3-methyl-benzene-1,2-dicarbonitrile Openeye Name: 4-tert-butyl-3-methyl-phthalonitrile CAS Name: 4-tert-butyl-3-methylbenzene-1,2-dicarbonitrile IUPAC Name: 4-tert-butyl-3-methylbenzene-1,2-dicarbonitrile Traditional Name: 4-tert-butyl-3-methyl-phthalonitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2/c1-9-11(8-15)10(7-14)5-6-12(9)13(2,3)4/h5-6H,1-4H3