Chem
J-GLOBAL ID：200907062787156172   Nikkaji number：J1.825.608H

1-(4-Nitrobutanoyl)-3,5-dimethyl-1H-pyrazole

1-(4-ニトロブタノイル)-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： C9H13N2[N+]O2[O-]
Molecular formula furigana： C9-H13-N3-O3
Molecular weight： 211.221
InChI： InChI=1S/C9H13N3O3/c1-7-6-8(2)12(10-7)9(13)4-3-5-11(14)15/h6H,3-5H2,1-2H3
InChI key： JUHXDDJBYSICRR-UHFFFAOYSA-N
SMILES： Cc1cc(C)n(n1)C(=O)CCC[N+](=O)[O-]
Systematic name  (3)：
  • 1-(4-ニトロブタノイル)-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-ニトロブタン-1-オン
  • 1-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrobutan-1-one
Other name (1)：
  • 1-(4-Nitrobutanoyl)-3,5-dimethyl-1H-pyrazole
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