4-(benzotriazol-1-yl)-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-nitro-phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-nitro-phthalonitrile Formula: C14H6N6O2 MolecularWeight: 290.23644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H6N6O2/c15-7-9-5-13(14(20(21)22)6-10(9)8-16)19-12-4-2-1-3-11(12)17-18-19/h1-6H