Chem
J-GLOBAL ID：200907005326915396   Nikkaji number：J1.065.980I

2-[2-Nitro-4-(trifluoromethyl)benzyl]-1,3-cyclohexanedione

2-[2-ニトロ-4-(トリフルオロメチル)ベンジル]-1,3-シクロヘキサンジオン
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： C14H12F3[N+]O3[O-]
Molecular formula furigana： C14-H12-F3-N-O4
Molecular weight： 315.248
InChI： InChI=1S/C14H12F3NO4/c15-14(16,17)9-5-4-8(11(7-9)18(21)22)6-10-12(19)2-1-3-13(10)20/h4-5,7,10H,1-3,6H2
InChI key： CINVQUQACVAEGN-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1cc(ccc1CC1C(=O)CCCC1=O)C(F)(F)F
Systematic name  (3)：
  • 2-[2-ニトロ-4-(トリフルオロメチル)ベンジル]-1,3-シクロヘキサンジオン
  • 2-{[2-ニトロ-4-(トリフルオロメチル)フェニル]メチル}シクロヘキサン-1,3-ジオン
  • 2-{[2-nitro-4-(trifluoromethyl)phenyl]methyl}cyclohexane-1,3-dione
Other name (1)：
  • 2-[2-Nitro-4-(trifluoromethyl)benzyl]-1,3-cyclohexanedione
Thsaurus map：
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