Chem
J-GLOBAL ID:200907039894443514   Nikkaji number:J1.068.453F

1,1′-[Tetramethylenebis(carbonylimino)]bis[2-methyl-5-(4-nitrophenyl)-1H-pyrrole-3,4-dicarboxylic acid diethyl] ester

1,1′-[テトラメチレンビス(カルボニルイミノ)]ビス[2-メチル-5-(4-ニトロフェニル)-1H-ピロール-3,4-ジカルボン酸ジエチル]
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: C40H44N4[N+]2O12[O-]2
Molecular formula furigana: C40-H44-N6-O14
Molecular weight: 832.820
InChI: InChI=1S/C40H44N6O14/c1-7-57-37(49)31-23(5)43(35(33(31)39(51)59-9-3)25-15-19-27(20-16-25)45(53)54)41-29(47)13-11-12-14-30(48)42-44-24(6)32(38(50)58-8-2)34(40(52)60-10-4)36(44)26-17-21-28(22-18-26)46(55)56/h15-22H,7-14H2,1-6H3,(H,41,47)(H,42,48)
InChI key: HJBJEURZFYEFDP-UHFFFAOYSA-N
SMILES: CCOC(=O)c1c(C)n(NC(=O)CCCCC(=O)Nn2c(C)c(C(=O)OCC)c(C(=O)OCC)c2c2ccc(cc2)[N+](=O)[O-])c(c1C(=O)OCC)c1ccc(cc1)[N+](=O)[O-]
Systematic name  (3):
  • 1,1′-[テトラメチレンビス(カルボニルイミノ)]ビス[2-メチル-5-(4-ニトロフェニル)-1H-ピロール-3,4-ジカルボン酸ジエチル]
  • 3,4-ジエチル 1-(5-{[3,4-ビス(エトキシカルボニル)-2-メチル-5-(4-ニトロフェニル)-1H-ピロール-1-イル]カルバモイル}ペンタンアミド)-2-メチル-5-(4-ニトロフェニル)-1H-ピロール-3,4-ジカルボキシラート
  • 3,4-diethyl 1-(5-{[3,4-bis(ethoxycarbonyl)-2-methyl-5-(4-nitrophenyl)-1H-pyrrol-1-yl]carbamoyl}pentanamido)-2-methyl-5-(4-nitrophenyl)-1H-pyrrole-3,4-dicarboxylate
Other name (1):
  • 1,1′-[Tetramethylenebis(carbonylimino)]bis[2-methyl-5-(4-nitrophenyl)-1H-pyrrole-3,4-dicarboxylic acid diethyl] ester
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