1-bromanyl-9-ethyl-7-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 1-bromanyl-9-ethyl-7-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 1-bromo-9-ethyl-7-nitro-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 1-bromo-9-ethyl-7-nitro-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 1-bromo-9-ethyl-7-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 1-bromo-9-ethyl-7-nitro-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C17H13BrN6O2 MolecularWeight: 413.22812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1)[N+](=O)[O-])C(=NCC3=NN=C(N32)Br)C4=CC=CC=N4

Isomeric SMILES

CCC1=CC2=C(C(=C1)[N+](=O)[O-])C(=NCC3=NN=C(N32)Br)C4=CC=CC=N4

InChI

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