Chem
J-GLOBAL ID：200907040516868238   Nikkaji number：J1.621.938J

1-(3-Nitromethyl-4-methylpentanoyl)-3,5-dimethyl-1H-pyrazole

1-(3-ニトロメチル-4-メチルペンタノイル)-3,5-ジメチル-1H-ピラゾール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H19N2[N+]O2[O-]
Molecular formula furigana： C12-H19-N3-O3
Molecular weight： 253.302
InChI： InChI=1S/C12H19N3O3/c1-8(2)11(7-14(17)18)6-12(16)15-10(4)5-9(3)13-15/h5,8,11H,6-7H2,1-4H3
InChI key： JLIHUPXZUSWWRO-UHFFFAOYSA-N
SMILES： CC(C)C(CC(=O)n1nc(C)cc1C)C[N+](=O)[O-]
Systematic name  (4)：
  • 1-[3-(ニトロメチル)-4-メチルペンタノイル]-3,5-ジメチル-1H-ピラゾール
  • 1-(3-ニトロメチル-4-メチルペンタノイル)-3,5-ジメチル-1H-ピラゾール
  • 1-(3,5-ジメチル-1H-ピラゾール-1-イル)-4-メチル-3-(ニトロメチル)ペンタン-1-オン
  • 1-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methyl-3-(nitromethyl)pentan-1-one
Other name (2)：
  • 1-[3-(Nitromethyl)-4-methylpentanoyl]-3,5-dimethyl-1H-pyrazole
  • 1-(3-Nitromethyl-4-methylpentanoyl)-3,5-dimethyl-1H-pyrazole
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