Chem
J-GLOBAL ID：200907007452351506   Nikkaji number：J1.825.665G

1-[3-(Thiophene-2-yl)-4-nitrobutanoyl]-3,5-dimethyl-1H-pyrazole

1-[3-(チオフェン-2-イル)-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： C13H15N2[N+]O2[O-]S
Molecular formula furigana： C13-H15-N3-O3-S
Molecular weight： 293.340
InChI： InChI=1S/C13H15N3O3S/c1-9-6-10(2)16(14-9)13(17)7-11(8-15(18)19)12-4-3-5-20-12/h3-6,11H,7-8H2,1-2H3
InChI key： MJICNCITVYNNCV-UHFFFAOYSA-N
SMILES： Cc1cc(C)n(n1)C(=O)CC(C[N+](=O)[O-])c1cccs1
Systematic name  (3)：
  • 1-[3-(チオフェン-2-イル)-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-3-(チオフェン-2-イル)ブタン-1-オン
  • 1-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitro-3-(thiophen-2-yl)butan-1-one
Other name (1)：
  • 1-[3-(Thiophene-2-yl)-4-nitrobutanoyl]-3,5-dimethyl-1H-pyrazole
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