4-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)phthalonitrile CAS Name: 4-(1-benzotriazolyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)phthalonitrile Formula: C14H7N5 MolecularWeight: 245.23888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=CC(=C(C=C3)C#N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=CC(=C(C=C3)C#N)C#N

InChI

InChI=1S/C14H7N5/c15-8-10-5-6-12(7-11(10)9-16)19-14-4-2-1-3-13(14)17-18-19/h1-7H