Chem
J-GLOBAL ID：201207093049003505   Nikkaji number：J3.009.453K

2,2,2-Trichloroacetimidic acid 2-O,3-O-benzylidene-5-O-(4-nitrobenzoyl)-D-apio-β-D-furanosyl ester

2,2,2-トリクロロアセトイミド酸2-O,3-O-ベンジリデン-5-O-(4-ニトロベンゾイル)-D-アピオ-β-D-フラノシル
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： C21H17Cl3N[N+]O7[O-]
Molecular formula furigana： C21-H17-CL3-N2-O8
Molecular weight： 531.720
InChI： InChI=1S/C21H17Cl3N2O8/c22-21(23,24)19(25)33-18-15-20(11-31-18,34-17(32-15)13-4-2-1-3-5-13)10-30-16(27)12-6-8-14(9-7-12)26(28)29/h1-9,15,17-18,25H,10-11H2/t15-,17?,18-,20+/m0/s1
InChI key： WXRSSFOZGKTTJF-TZLDQEOQSA-N
SMILES： [O-][N+](=O)c1ccc(cc1)C(=O)OC[C@@]12CO[C@@H](OC(=N)C(Cl)(Cl)Cl)[C@@H]1OC(O2)c1ccccc1
Systematic name  (3)：
  • 2,2,2-トリクロロアセトイミド酸2-O,3-O-ベンジリデン-5-O-(4-ニトロベンゾイル)-D-アピオ-β-D-フラノシル
  • [(3aS,6S,6aR)-2-フェニル-6-[(2,2,2-トリクロロエタンイミドイル)オキシ]-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-3a-イル]メチル 4-ニトロベンゾアート
  • [(3aS,6S,6aR)-2-phenyl-6-[(2,2,2-trichloroethanimidoyl)oxy]-tetrahydro-2H-furo[3,4-d][1,3]dioxol-3a-yl]methyl 4-nitrobenzoate
Other name (1)：
  • 2,2,2-Trichloroacetimidic acid 2-O,3-O-benzylidene-5-O-(4-nitrobenzoyl)-D-apio-β-D-furanosyl ester
Thsaurus map：
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