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

Systemtic Name: 1-bromanyl-8-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 1-bromo-8-nitro-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 1-bromo-8-nitro-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 1-bromo-8-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 1-bromo-8-nitro-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C15H9BrN6O2 MolecularWeight: 385.17496

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=N4)Br

Isomeric SMILES

C1C2=NN=C(N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=N4)Br

InChI

InChI=1S/C15H9BrN6O2/c16-15-20-19-13-8-18-14(11-3-1-2-6-17-11)10-7-9(22(23)24)4-5-12(10)21(13)15/h1-7H,8H2