Chem
J-GLOBAL ID：200907016377291364   Nikkaji number：J1.825.668A

1-[3-(3,4-Methylenedioxyphenyl)-4-nitrobutanoyl]-3,5-dimethyl-1H-pyrazole

1-[3-(3,4-メチレンジオキシフェニル)-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： C16H17N2[N+]O4[O-]
Molecular formula furigana： C16-H17-N3-O5
Molecular weight： 331.328
InChI： InChI=1S/C16H17N3O5/c1-10-5-11(2)19(17-10)16(20)7-13(8-18(21)22)12-3-4-14-15(6-12)24-9-23-14/h3-6,13H,7-9H2,1-2H3
InChI key： GUSSPNQCIICMTL-UHFFFAOYSA-N
SMILES： Cc1cc(C)n(n1)C(=O)CC(C[N+](=O)[O-])c1ccc2OCOc2c1
Systematic name  (3)：
  • 1-[3-(3,4-メチレンジオキシフェニル)-4-ニトロブタノイル]-3,5-ジメチル-1H-ピラゾール
  • 3-(2H-1,3-ベンゾジオキソール-5-イル)-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
  • 3-(2H-1,3-benzodioxol-5-yl)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrobutan-1-one
Other name (1)：
  • 1-[3-(3,4-Methylenedioxyphenyl)-4-nitrobutanoyl]-3,5-dimethyl-1H-pyrazole
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