Chem
J-GLOBAL ID：200907004910012288
Nikkaji number：J1.796.268J
(E)-1,1,1-Trifluoro-4-(3-nitrophenyl)-3-butene-2-one
(E)-1,1,1-トリフルオロ-4-(3-ニトロフェニル)-3-ブテン-2-オン
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
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
Molecular formula： C10H6F3[N+]O2[O-]
Molecular formula furigana： C10-H6-F3-N-O3
Molecular weight： 245.157
InChI：
InChI=1S/C10H6F3NO3/c11-10(12,13)9(15)5-4-7-2-1-3-8(6-7)14(16)17/h1-6H/b5-4+
InChI key：
NWOWAPJGBPISJI-SNAWJCMRSA-N
SMILES：
[O-][N+](=O)c1cccc(/C=C/C(=O)C(F)(F)F)c1
Systematic name (3)：
- (E)-1,1,1-トリフルオロ-4-(3-ニトロフェニル)-3-ブテン-2-オン
- (3E)-1,1,1-トリフルオロ-4-(3-ニトロフェニル)ブタ-3-エン-2-オン
- (3E)-1,1,1-trifluoro-4-(3-nitrophenyl)but-3-en-2-one
- (E)-1,1,1-Trifluoro-4-(3-nitrophenyl)-3-butene-2-one
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