1-[3-(benzotriazol-1-yl)-2-(4-nitrophenyl)-1,3-dihydroisoindol-1-yl]benzotriazole

Systemtic Name: 1-[3-(benzotriazol-1-yl)-2-(4-nitrophenyl)-1,3-dihydroisoindol-1-yl]benzotriazole Openeye Name: 1-[3-(benzotriazol-1-yl)-2-(4-nitrophenyl)isoindolin-1-yl]benzotriazole CAS Name: 1-[3-(1-benzotriazolyl)-2-(4-nitrophenyl)-1,3-dihydroisoindol-1-yl]benzotriazole IUPAC Name: 1-[3-(benzotriazol-1-yl)-2-(4-nitrophenyl)-1,3-dihydroisoindol-1-yl]benzotriazole Traditional Name: 1-[3-(benzotriazol-1-yl)-2-(4-nitrophenyl)isoindolin-1-yl]benzotriazole Formula: C26H18N8O2 MolecularWeight: 474.47352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(N(C(C2=C1)N3C4=CC=CC=C4N=N3)C5=CC=C(C=C5)[N+](=O)[O-])N6C7=CC=CC=C7N=N6

Isomeric SMILES

C1=CC=C2C(N(C(C2=C1)N3C4=CC=CC=C4N=N3)C5=CC=C(C=C5)[N+](=O)[O-])N6C7=CC=CC=C7N=N6

InChI

InChI=1S/C26H18N8O2/c35-34(36)18-15-13-17(14-16-18)31-25(32-23-11-5-3-9-21(23)27-29-32)19-7-1-2-8-20(19)26(31)33-24-12-6-4-10-22(24)28-30-33/h1-16,25-26H