Chem
J-GLOBAL ID：201407042141721393   Nikkaji number：J3.304.405D

5-(4-Nitrobenzoyl)carbonylfluorescein

5-(4-ニトロベンゾイル)カルボニルフルオレセイン
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： C47H36N7[N+]O9[O-]
Molecular formula furigana： C47-H36-N8-O10
Molecular weight： 872.851
InChI： InChI=1S/C47H36N8O10/c48-47-52-43-40(50-24-51-43)45(53-47)64-23-26-3-1-25(2-4-26)22-49-44(60)28-15-17-54(18-16-28)46(61)36-19-29(42(59)41(58)27-5-8-30(9-6-27)55(62)63)7-12-33(36)39-34-13-10-31(56)20-37(34)65-38-21-32(57)11-14-35(38)39/h1-14,19-21,24,28,56H,15-18,22-23H2,(H,49,60)(H3,48,50,51,52,53)
InChI key： SOIURJLFXQXETC-UHFFFAOYSA-N
SMILES： Nc1nc(OCc2ccc(CNC(=O)C3CCN(CC3)C(=O)c3cc(ccc3c3c4ccc(O)cc4oc4cc(=O)ccc34)C(=O)C(=O)c3ccc(cc3)[N+](=O)[O-])cc2)c2nc[nH]c2n1
Systematic name  (3)：
  • 9-[2-[[4-[[4-(2-アミノ-9H-プリン-6-イルオキシメチル)ベンジル]カルバモイル]ピペリジノ]カルボニル]-4-[2-(4-ニトロフェニル)-1,2-ジオキソエチル]フェニル]-6-ヒドロキシ-3H-キサンテン-3-オン
  • N-[(4-{[(2-アミノ-9H-プリン-6-イル)オキシ]メチル}フェニル)メチル]-1-[2-(6-ヒドロキシ-3-オキソ-3H-キサンテン-9-イル)-5-[2-(4-ニトロフェニル)-2-オキソアセチル]ベンゾイル]ピペリジン-4-カルボキサミド
  • N-[(4-{[(2-amino-9H-purin-6-yl)oxy]methyl}phenyl)methyl]-1-[2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[2-(4-nitrophenyl)-2-oxoacetyl]benzoyl]piperidine-4-carboxamide
Other name (3)：
  • 9-[2-[[4-[[4-(2-Amino-9H-purine-6-yloxymethyl)benzyl]carbamoyl]piperidino]carbonyl]-4-[2-(4-nitrophenyl)-1,2-dioxoethyl]phenyl]-6-hydroxy-3H-xanthene-3-one
  • 5-(4-ニトロベンゾイル)カルボニルフルオレセイン
  • 5-(4-Nitrobenzoyl)carbonylfluorescein
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