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

Systemtic Name: 1-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one Openeye Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one CAS Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3,3-dimethyl-2-butanone IUPAC Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one Traditional Name: 1-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-3,3-dimethyl-butan-2-one Formula: C8H11BrN4O3 MolecularWeight: 291.10194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11BrN4O3/c1-8(2,3)5(14)4-12-6(9)10-7(11-12)13(15)16/h4H2,1-3H3