Chem
J-GLOBAL ID：201407083973032880   Nikkaji number：J3.231.570D

2α,3α-Bis(4-nitrophenyl)-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]imidazole-7aα(7H)-carboxylic acid methyl ester

2α,3α-ビス(4-ニトロフェニル)-2,3,5,6-テトラヒドロ-1H-ピロロ[1,2-a]イミダゾール-7aα(7H)-カルボン酸メチル
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： C20H20N2[N+]2O4[O-]2
Molecular formula furigana： C20-H20-N4-O6
Molecular weight： 412.402
InChI： InChI=1S/C20H20N4O6/c1-30-19(25)20-11-2-12-22(20)18(14-5-9-16(10-6-14)24(28)29)17(21-20)13-3-7-15(8-4-13)23(26)27/h3-10,17-18,21H,2,11-12H2,1H3/t17-,18+,20-/m1/s1
InChI key： NXYLOWZJEDROMO-WSTZPKSXSA-N
SMILES： COC(=O)[C@@]12CCCN1[C@H]([C@H](N2)c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3)：
  • 2α,3α-ビス(4-ニトロフェニル)-2,3,5,6-テトラヒドロ-1H-ピロロ[1,2-a]イミダゾール-7aα(7H)-カルボン酸メチル
  • メチル (2R,3S,7aR)-2,3-ビス(4-ニトロフェニル)-ヘキサヒドロ-1H-ピロロ[1,2-a]イミダゾール-7a-カルボキシラート
  • methyl (2R,3S,7aR)-2,3-bis(4-nitrophenyl)-hexahydro-1H-pyrrolo[1,2-a]imidazole-7a-carboxylate
Other name (1)：
  • 2α,3α-Bis(4-nitrophenyl)-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]imidazole-7aα(7H)-carboxylic acid methyl ester
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