Chem
J-GLOBAL ID：200907077664827460   Nikkaji number：J1.825.664I

1-[(E)-3-Nitromethyl-4-hexenoyl]-3,5-dimethyl-1H-pyrazole

1-[(E)-3-ニトロメチル-4-ヘキセノイル]-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： C12H17N2[N+]O2[O-]
Molecular formula furigana： C12-H17-N3-O3
Molecular weight： 251.286
InChI： InChI=1S/C12H17N3O3/c1-4-5-11(8-14(17)18)7-12(16)15-10(3)6-9(2)13-15/h4-6,11H,7-8H2,1-3H3/b5-4+
InChI key： LIVNZNJZMDRWPR-SNAWJCMRSA-N
SMILES： C/C=C/C(CC(=O)n1nc(C)cc1C)C[N+](=O)[O-]
Systematic name  (3)：
  • 1-[(E)-3-ニトロメチル-4-ヘキセノイル]-3,5-ジメチル-1H-ピラゾール
  • (4E)-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-4-エン-1-オン
  • (4E)-1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(nitromethyl)hex-4-en-1-one
Other name (1)：
  • 1-[(E)-3-Nitromethyl-4-hexenoyl]-3,5-dimethyl-1H-pyrazole
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