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

Systemtic Name: 3,3-dimethyl-1-(5-methyl-3-nitro-1,2,4-triazol-1-yl)butan-2-one Openeye Name: 3,3-dimethyl-1-(5-methyl-3-nitro-1,2,4-triazol-1-yl)butan-2-one CAS Name: 3,3-dimethyl-1-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 3,3-dimethyl-1-(5-methyl-3-nitro-1,2,4-triazol-1-yl)butan-2-one Traditional Name: 3,3-dimethyl-1-(5-methyl-3-nitro-1,2,4-triazol-1-yl)butan-2-one Formula: C9H14N4O3 MolecularWeight: 226.23246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C9H14N4O3/c1-6-10-8(13(15)16)11-12(6)5-7(14)9(2,3)4/h5H2,1-4H3