2-[2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)ethyl]isoindoline-1,3-quinone Formula: C26H18N6O4 MolecularWeight: 478.45892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4)CCN5C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

C1C2=NN=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4)CCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C26H18N6O4/c33-25-18-8-4-5-9-19(18)26(34)30(25)13-12-22-28-29-23-15-27-24(16-6-2-1-3-7-16)20-14-17(32(35)36)10-11-21(20)31(22)23/h1-11,14H,12-13,15H2