4-(benzotriazol-1-yl)-5-[3-(4-nitrophenoxy)phenoxy]benzene-1,2-dicarbonitrile

Systemtic Name: 4-(benzotriazol-1-yl)-5-[3-(4-nitrophenoxy)phenoxy]benzene-1,2-dicarbonitrile Openeye Name: 4-(benzotriazol-1-yl)-5-[3-(4-nitrophenoxy)phenoxy]phthalonitrile CAS Name: 4-(1-benzotriazolyl)-5-[3-(4-nitrophenoxy)phenoxy]benzene-1,2-dicarbonitrile IUPAC Name: 4-(benzotriazol-1-yl)-5-[3-(4-nitrophenoxy)phenoxy]benzene-1,2-dicarbonitrile Traditional Name: 4-(benzotriazol-1-yl)-5-[3-(4-nitrophenoxy)phenoxy]phthalonitrile Formula: C26H14N6O4 MolecularWeight: 474.42716

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)OC4=CC=CC(=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=C(C(=C3)C#N)C#N)OC4=CC=CC(=C4)OC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H14N6O4/c27-15-17-12-25(31-24-7-2-1-6-23(24)29-30-31)26(13-18(17)16-28)36-22-5-3-4-21(14-22)35-20-10-8-19(9-11-20)32(33)34/h1-14H