1-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)propan-2-one

Systemtic Name: 1-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)propan-2-one Openeye Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)propan-2-one CAS Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-2-propanone IUPAC Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)propan-2-one Traditional Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetone Formula: C5H5BrN4O3 MolecularWeight: 249.0222

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=NC(=N1)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)CN1C(=NC(=N1)[N+](=O)[O-])Br

InChI

InChI=1S/C5H5BrN4O3/c1-3(11)2-9-4(6)7-5(8-9)10(12)13/h2H2,1H3