4-[5-(5-bromanyl-1H-1,2,4-triazol-3-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one

Systemtic Name: 4-[5-(5-bromanyl-1H-1,2,4-triazol-3-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one Openeye Name: 4-[5-(5-bromo-1H-1,2,4-triazol-3-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one CAS Name: 4-[5-(5-bromo-1H-1,2,4-triazol-3-yl)-3-nitro-1,2,4-triazol-1-yl]-2-butanone IUPAC Name: 4-[5-(5-bromo-1H-1,2,4-triazol-3-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one Traditional Name: 4-[5-(5-bromo-1H-1,2,4-triazol-3-yl)-3-nitro-1,2,4-triazol-1-yl]butan-2-one Formula: C8H8BrN7O3 MolecularWeight: 330.09822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])C2=NNC(=N2)Br

Isomeric SMILES

CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])C2=NNC(=N2)Br

InChI

InChI=1S/C8H8BrN7O3/c1-4(17)2-3-15-6(5-10-7(9)13-12-5)11-8(14-15)16(18)19/h2-3H2,1H3,(H,10,12,13)