Chem
J-GLOBAL ID：200907078980970140   Nikkaji number：J1.621.937A

1-(3-Nitromethylhexanoyl)-3,5-dimethyl-1H-pyrazole

1-(3-ニトロメチルヘキサノイル)-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/c1-4-5-11(8-14(17)18)7-12(16)15-10(3)6-9(2)13-15/h6,11H,4-5,7-8H2,1-3H3
InChI key： AZFDYIVEOWEUIW-UHFFFAOYSA-N
SMILES： CCCC(CC(=O)n1nc(C)cc1C)C[N+](=O)[O-]
Systematic name  (4)：
  • 1-[3-(ニトロメチル)ヘキサノイル]-3,5-ジメチル-1H-ピラゾール
  • 1-(3-ニトロメチルヘキサノイル)-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)-3-(ニトロメチル)ヘキサン-1-オン
  • 1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(nitromethyl)hexan-1-one
Other name (2)：
  • 1-[3-(Nitromethyl)hexanoyl]-3,5-dimethyl-1H-pyrazole
  • 1-(3-Nitromethylhexanoyl)-3,5-dimethyl-1H-pyrazole
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