1-bromanyl-9-ethyl-8-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 1-bromanyl-9-ethyl-8-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 1-bromo-9-ethyl-8-nitro-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 1-bromo-9-ethyl-8-nitro-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 1-bromo-9-ethyl-8-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 1-bromo-9-ethyl-8-nitro-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C17H13BrN6O2 MolecularWeight: 413.22812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)N3C(=NN=C3Br)CN=C2C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)N3C(=NN=C3Br)CN=C2C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN6O2/c1-2-10-7-14-11(8-13(10)24(25)26)16(12-5-3-4-6-19-12)20-9-15-21-22-17(18)23(14)15/h3-8H,2,9H2,1H3