Chem
J-GLOBAL ID：200907091536469155   Nikkaji number：J1.971.969C

2-[(S)-1-Methyl-2-butenyl]-2-(trifluoroacetylamino)malonic acid dimethyl ester

2-[(S)-1-メチル-2-ブテニル]-2-(トリフルオロアセチルアミノ)マロン酸ジメチル
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： C12H16F3NO5
Molecular formula furigana： C12-H16-F3-N-O5
Molecular weight： 311.257
InChI： InChI=1S/C12H16F3NO5/c1-5-6-7(2)11(9(18)20-3,10(19)21-4)16-8(17)12(13,14)15/h5-7H,1-4H3,(H,16,17)/t7-/m0/s1
InChI key： OPANZPVNJLAASV-ZETCQYMHSA-N
SMILES： COC(=O)C(NC(=O)C(F)(F)F)([C@@H](C)C=CC)C(=O)OC
Systematic name  (3)：
  • 2-[(S)-1-メチル-2-ブテニル]-2-(トリフルオロアセチルアミノ)マロン酸ジメチル
  • 1,3-ジメチル 2-[(2S)-ペンタ-3-エン-2-イル]-2-(2,2,2-トリフルオロアセトアミド)プロパンジオアート
  • 1,3-dimethyl 2-[(2S)-pent-3-en-2-yl]-2-(2,2,2-trifluoroacetamido)propanedioate
Other name (1)：
  • 2-[(S)-1-Methyl-2-butenyl]-2-(trifluoroacetylamino)malonic acid dimethyl ester
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