Chem
J-GLOBAL ID：200907036811380550   Nikkaji number：J2.764.123G

3-[(S)-α-(Nitromethyl)-4-methoxybenzyl]-2,4-pentanedione

3-[(S)-α-(ニトロメチル)-4-メトキシベンジル]-2,4-ペンタンジオン
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： C14H17[N+]O4[O-]
Molecular formula furigana： C14-H17-N-O5
Molecular weight： 279.292
InChI： InChI=1S/C14H17NO5/c1-9(16)14(10(2)17)13(8-15(18)19)11-4-6-12(20-3)7-5-11/h4-7,13-14H,8H2,1-3H3/t13-/m1/s1
InChI key： HRTJQFPRESHFBW-CYBMUJFWSA-N
SMILES： COc1ccc(cc1)[C@@H](C[N+](=O)[O-])C(C(=O)C)C(=O)C
Systematic name  (7)：
  • 3-[(S)-1-(4-メトキシフェニル)-2-ニトロエチル]ペンタン-2,4-ジオン
  • 3-[(S)-4-メトキシ-α-(ニトロメチル)ベンジル]-2,4-ペンタンジオン
  • 3-[(S)-1-(4-メトキシフェニル)-2-ニトロエチル]-2,4-ペンタンジオン
  • 3-[(S)-α-(ニトロメチル)-4-メトキシベンジル]-2,4-ペンタンジオン
  • 3-((S)-1-(4-メトキシフェニル)-2-ニトロエチル)ペンタン-2,4-ジオン
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Other name (5)：
  • 3-[(S)-1-(4-Methoxyphenyl)-2-nitroethyl]pentane-2,4-dione
  • 3-[(S)-4-Methoxy-α-(nitromethyl)benzyl]-2,4-pentanedione
  • 3-[(S)-1-(4-Methoxyphenyl)-2-nitroethyl]-2,4-pentanedione
  • 3-[(S)-α-(Nitromethyl)-4-methoxybenzyl]-2,4-pentanedione
  • 3-((S)-1-(4-Methoxyphenyl)-2-nitroethyl)pentane-2,4-dione
Thsaurus map：
Thesaurus Map

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