Chem
J-GLOBAL ID：201407082811622881   Nikkaji number：J3.227.316E

3-((S)-1-(o-Tolyl)-2-nitroethyl)pentane-2,4-dione

3-((S)-1-(o-トリル)-2-ニトロエチル)ペンタン-2,4-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： C14H17[N+]O3[O-]
Molecular formula furigana： C14-H17-N-O4
Molecular weight： 263.293
InChI： InChI=1S/C14H17NO4/c1-9-6-4-5-7-12(9)13(8-15(18)19)14(10(2)16)11(3)17/h4-7,13-14H,8H2,1-3H3/t13-/m1/s1
InChI key： XWYVDIVJLVKSPA-CYBMUJFWSA-N
SMILES： CC(=O)C([C@H](C[N+](=O)[O-])c1ccccc1C)C(=O)C
Systematic name  (4)：
  • 3-[(S)-α-(ニトロメチル)-2-メチルベンジル]-2,4-ペンタンジオン
  • 3-((S)-1-(o-トリル)-2-ニトロエチル)ペンタン-2,4-ジオン
  • 3-[(1S)-1-(2-メチルフェニル)-2-ニトロエチル]ペンタン-2,4-ジオン
  • 3-[(1S)-1-(2-methylphenyl)-2-nitroethyl]pentane-2,4-dione
Other name (2)：
  • 3-[(S)-α-(Nitromethyl)-2-methylbenzyl]-2,4-pentanedione
  • 3-((S)-1-(o-Tolyl)-2-nitroethyl)pentane-2,4-dione
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