2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-1-(4-nitrophenyl)ethanone Formula: C10H6BrN5O5 MolecularWeight: 356.08914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CN2C(=NC(=N2)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C10H6BrN5O5/c11-9-12-10(16(20)21)13-14(9)5-8(17)6-1-3-7(4-2-6)15(18)19/h1-4H,5H2