1-[1,4,4-tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole

Systemtic Name: 1-[1,4,4-tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole Openeye Name: 1-[1,4,4-tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole CAS Name: 1-[1,4,4-tris(1-benzotriazolyl)-3-nitrobuta-1,3-dienyl]benzotriazole IUPAC Name: 1-[1,4,4-tris(benzotriazol-1-yl)-3-nitrobuta-1,3-dienyl]benzotriazole Traditional Name: 1-[1,4,4-tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole Formula: C28H17N13O2 MolecularWeight: 567.52048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(=CC(=C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5)[N+](=O)[O-])N7C8=CC=CC=C8N=N7

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(=CC(=C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5)[N+](=O)[O-])N7C8=CC=CC=C8N=N7

InChI

InChI=1S/C28H17N13O2/c42-41(43)26(28(39-24-15-7-3-11-20(24)31-35-39)40-25-16-8-4-12-21(25)32-36-40)17-27(37-22-13-5-1-9-18(22)29-33-37)38-23-14-6-2-10-19(23)30-34-38/h1-17H