Chem
J-GLOBAL ID:200907048704513812   Nikkaji number:J1.228.529I

3-[(2S,3R)-2-(Chloromethyl)-3-hydroxy-3-(4-nitrophenyl)propanoyl]-2,3-dihydrobenzoxazole-2-one

3-[(2S,3R)-2-(クロロメチル)-3-ヒドロキシ-3-(4-ニトロフェニル)プロパノイル]-2,3-ジヒドロベンゾオキサゾール-2-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: C17H13ClN[N+]O5[O-]
Molecular formula furigana: C17-H13-CL-N2-O6
Molecular weight: 376.750
InChI: InChI=1S/C17H13ClN2O6/c18-9-12(15(21)10-5-7-11(8-6-10)20(24)25)16(22)19-13-3-1-2-4-14(13)26-17(19)23/h1-8,12,15,21H,9H2/t12-,15-/m0/s1
InChI key: XVJYLXFYPLOCRK-WFASDCNBSA-N
SMILES: O[C@H]([C@H](CCl)C(=O)n1c2ccccc2oc1=O)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3):
  • 3-[(2S,3R)-2-(クロロメチル)-3-ヒドロキシ-3-(4-ニトロフェニル)プロパノイル]-2,3-ジヒドロベンゾオキサゾール-2-オン
  • 3-[(2S,3R)-2-(クロロメチル)-3-ヒドロキシ-3-(4-ニトロフェニル)プロパノイル]-2,3-ジヒドロ-1,3-ベンゾオキサゾール-2-オン
  • 3-[(2S,3R)-2-(chloromethyl)-3-hydroxy-3-(4-nitrophenyl)propanoyl]-2,3-dihydro-1,3-benzoxazol-2-one
Other name (1):
  • 3-[(2S,3R)-2-(Chloromethyl)-3-hydroxy-3-(4-nitrophenyl)propanoyl]-2,3-dihydrobenzoxazole-2-one
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