Chem
J-GLOBAL ID:200907000126918739   Nikkaji number:J1.864.900D

[1R,2R,(±)]-1-(1-Methyl-4-nitro-1H-pyrrole-2-yl)-2-(dichloroacetylamino)-1,3-propanediol

[1R,2R,(±)]-1-(1-メチル-4-ニトロ-1H-ピロール-2-イル)-2-(ジクロロアセチルアミノ)-1,3-プロパンジオール
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: C10H13Cl2N2[N+]O4[O-]
Molecular formula furigana: C10-H13-CL2-N3-O5
Molecular weight: 326.130
InChI: InChI=1S/C10H13Cl2N3O5/c1-14-3-5(15(19)20)2-7(14)8(17)6(4-16)13-10(18)9(11)12/h2-3,6,8-9,16-17H,4H2,1H3,(H,13,18)/t6-,8-/m1/s1
InChI key: LRZWFWPKUCUEJQ-HTRCEHHLSA-N
SMILES: Cn1cc(cc1[C@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)[N+](=O)[O-]
Systematic name  (3):
  • [1R,2R,(±)]-1-(1-メチル-4-ニトロ-1H-ピロール-2-イル)-2-(ジクロロアセチルアミノ)-1,3-プロパンジオール
  • 2,2-ジクロロ-N-[(1R,2R)-1,3-ジヒドロキシ-1-(1-メチル-4-ニトロ-1H-ピロール-2-イル)プロパン-2-イル]アセトアミド
  • 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)propan-2-yl]acetamide
Other name (1):
  • [1R,2R,(±)]-1-(1-Methyl-4-nitro-1H-pyrrole-2-yl)-2-(dichloroacetylamino)-1,3-propanediol
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