Chem
J-GLOBAL ID：201407022117964691   Nikkaji number：J3.245.558A

[(1S,2R)-1-(4-Fluorophenyl)-2-nitropropyl]carbamic acid tert-butyl ester

[(1S,2R)-1-(4-フルオロフェニル)-2-ニトロプロピル]カルバミド酸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： C14H19FN[N+]O3[O-]
Molecular formula furigana： C14-H19-F-N2-O4
Molecular weight： 298.314
InChI： InChI=1S/C14H19FN2O4/c1-9(17(19)20)12(10-5-7-11(15)8-6-10)16-13(18)21-14(2,3)4/h5-9,12H,1-4H3,(H,16,18)/t9-,12-/m1/s1
InChI key： XTCWLLNIUOQRHM-BXKDBHETSA-N
SMILES： C[C@H]([C@@H](NC(=O)OC(C)(C)C)c1ccc(F)cc1)[N+](=O)[O-]
Systematic name  (3)：
  • [(1S,2R)-1-(4-フルオロフェニル)-2-ニトロプロピル]カルバミド酸tert-ブチル
  • tert-ブチル N-[(1S,2R)-1-(4-フルオロフェニル)-2-ニトロプロピル]カルバマート
  • tert-butyl N-[(1S,2R)-1-(4-fluorophenyl)-2-nitropropyl]carbamate
Other name (1)：
  • [(1S,2R)-1-(4-Fluorophenyl)-2-nitropropyl]carbamic acid tert-butyl ester
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