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

Systemtic Name: 4-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-(5-bromo-3-nitro-1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-(5-bromo-3-nitro-1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-(5-bromo-3-nitro-1,2,4-triazol-1-yl)butan-2-one Formula: C6H7BrN4O3 MolecularWeight: 263.04878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7BrN4O3/c1-4(12)2-3-10-5(7)8-6(9-10)11(13)14/h2-3H2,1H3