Chem
J-GLOBAL ID:200907018066691183   Nikkaji number:J2.239.669B

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

3-[(R)-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-/m0/s1
InChI key: HRTJQFPRESHFBW-ZDUSSCGKSA-N
SMILES: COc1ccc(cc1)[C@H](C[N+](=O)[O-])C(C(=O)C)C(=O)C
Systematic name  (5):
  • 3-[(R)-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-[(R)-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-[(R)-α-(ニトロメチル)-4-メトキシベンジル]ペンタン-2,4-ジオン
  • 3-[(1R)-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-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]pentane-2,4-dione
Other name (3):
  • 3-[(R)-α-(Nitromethyl)-4-methoxybenzyl]-2,4-pentanedione
  • 3-[(R)-1-(4-Methoxyphenyl)-2-nitroethyl]pentane-2,4-dione
  • 3-[(R)-α-(Nitromethyl)-4-methoxybenzyl]pentane-2,4-dione
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