Chem
J-GLOBAL ID：201907000084394030   Nikkaji number：J3.739.762H

4-(3,5-dinitrobenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one

4-(3,5-ジニトロベンゾイル)-5-メチル-2-フェニル-4H-ピラゾール-3-オン
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： C17H12N4O6
Molecular formula furigana： C17-H12-N4-O6
Molecular weight： 368.305
InChI： InChI=1S/C17H12N4O6/c1-10-15(17(23)19(18-10)12-5-3-2-4-6-12)16(22)11-7-13(20(24)25)9-14(8-11)21(26)27/h2-9,15H,1H3
InChI key： IMURLUBIDTVTPB-UHFFFAOYSA-N
SMILES： N1(N=C(C(C1=O)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C)c1ccccc1
Systematic name  (3)：
  • 4-(3,5-ジニトロベンゾイル)-3-メチル-1-フェニル-1H-ピラゾール-5(4H)-オン
  • 4-(3,5-ジニトロベンゾイル)-3-メチル-1-フェニル-4,5-ジヒドロ-1H-ピラゾール-5-オン
  • 4-(3,5-dinitrobenzoyl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
Other name (2)：
  • 4-(3,5-ジニトロベンゾイル)-5-メチル-2-フェニル-4H-ピラゾール-3-オン
  • 4-(3,5-dinitrobenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
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