Chem
J-GLOBAL ID：201607010083357739   Nikkaji number：J3.517.927E

2-(Ethoxycarbonyl)-2-[α-(nitromethyl)benzyl]cyclopentanone

1-[α-(ニトロメチル)ベンジル]-2-オキソシクロペンタンカルボン酸エチル
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： C16H19[N+]O4[O-]
Molecular formula furigana： C16-H19-N-O5
Molecular weight： 305.330
InChI： InChI=1S/C16H19NO5/c1-2-22-15(19)16(10-6-9-14(16)18)13(11-17(20)21)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChI key： TVVRUFQTUBACSB-UHFFFAOYSA-N
SMILES： CCOC(=O)C1(CCCC1=O)C(C[N+](=O)[O-])c1ccccc1
Systematic name  (4)：
  • 2-(エトキシカルボニル)-2-[α-(ニトロメチル)ベンジル]シクロペンタノン
  • 1-[α-(ニトロメチル)ベンジル]-2-オキソシクロペンタンカルボン酸エチル
  • エチル 1-(2-ニトロ-1-フェニルエチル)-2-オキソシクロペンタン-1-カルボキシラート
  • ethyl 1-(2-nitro-1-phenylethyl)-2-oxocyclopentane-1-carboxylate
Other name (2)：
  • 2-(Ethoxycarbonyl)-2-[α-(nitromethyl)benzyl]cyclopentanone
  • 1-[α-(Nitromethyl)benzyl]-2-oxocyclopentanecarboxylic acid ethyl ester
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