Chem
J-GLOBAL ID:200907024842191862   Nikkaji number:J976.743F

(4S)-4-[(R)-1-Hydroxy-2-(trifluoromethyl)-3-(4-nitrophenyl)-2-propenyl]-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester

(4S)-4-[(R)-1-ヒドロキシ-2-(トリフルオロメチル)-3-(4-ニトロフェニル)-2-プロペニル]-2,2-ジメチルオキサゾリジン-3-カルボン酸tert-ブチル
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: C20H25F3N[N+]O5[O-]
Molecular formula furigana: C20-H25-F3-N2-O6
Molecular weight: 446.423
InChI: InChI=1S/C20H25F3N2O6/c1-18(2,3)31-17(27)24-15(11-30-19(24,4)5)16(26)14(20(21,22)23)10-12-6-8-13(9-7-12)25(28)29/h6-10,15-16,26H,11H2,1-5H3/t15-,16+/m0/s1
InChI key: HTMUABWKTHNKTQ-JKSUJKDBSA-N
SMILES: CC(C)(C)OC(=O)N1[C@@H](COC1(C)C)[C@H](O)C(=Cc1ccc(cc1)[N+](=O)[O-])C(F)(F)F
Systematic name  (3):
  • (4S)-4-[(R)-1-ヒドロキシ-2-(トリフルオロメチル)-3-(4-ニトロフェニル)-2-プロペニル]-2,2-ジメチルオキサゾリジン-3-カルボン酸tert-ブチル
  • tert-ブチル (4S)-4-[(1R)-1-ヒドロキシ-3-(4-ニトロフェニル)-2-(トリフルオロメチル)プロパ-2-エン-1-イル]-2,2-ジメチル-1,3-オキサゾリジン-3-カルボキシラート
  • tert-butyl (4S)-4-[(1R)-1-hydroxy-3-(4-nitrophenyl)-2-(trifluoromethyl)prop-2-en-1-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
Other name (1):
  • (4S)-4-[(R)-1-Hydroxy-2-(trifluoromethyl)-3-(4-nitrophenyl)-2-propenyl]-2,2-dimethyloxazolidine-3-carboxylic acid tert-butyl ester
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