2-[2-(8-nitro-6-pyridin-2-yl-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-pyridin-2-yl-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-(2-pyridyl)-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-(2-pyridinyl)-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-pyridin-2-yl-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-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]ethyl]isoindoline-1,3-quinone Formula: C25H17N7O4 MolecularWeight: 479.44698

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=N4)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=N4)CCN5C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C25H17N7O4/c33-24-16-5-1-2-6-17(16)25(34)30(24)12-10-21-28-29-22-14-27-23(19-7-3-4-11-26-19)18-13-15(32(35)36)8-9-20(18)31(21)22/h1-9,11,13H,10,12,14H2