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

Systemtic Name: 1-bromanyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 1-bromo-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 1-bromo-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 1-bromo-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 1-bromo-8-nitro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C16H10BrN5O2 MolecularWeight: 384.1869

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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=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN5O2/c17-16-20-19-14-9-18-15(10-4-2-1-3-5-10)12-8-11(22(23)24)6-7-13(12)21(14)16/h1-8H,9H2