Chem
J-GLOBAL ID：201407076729715286   Nikkaji number：J3.301.851G

4-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrole-1-yl)-4,5,6,7,8,9-hexahydro-1H-cyclooctatriazole-1-yl]benzoic acid ethyl ester

4-[4-(2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル)-4,5,6,7,8,9-ヘキサヒドロ-1H-シクロオクタトリアゾール-1-イル]安息香酸エチル
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： C21H22N4O4
Molecular formula furigana： C21-H22-N4-O4
Molecular weight： 394.431
InChI： InChI=1S/C21H22N4O4/c1-2-29-21(28)14-8-10-15(11-9-14)25-17-7-5-3-4-6-16(20(17)22-23-25)24-18(26)12-13-19(24)27/h8-13,16H,2-7H2,1H3
InChI key： GTSXNXKWTHOWSX-UHFFFAOYSA-N
SMILES： CCOC(=O)c1ccc(cc1)n1nnc2C(CCCCCc12)N1C(=O)C=CC1=O
Systematic name  (3)：
  • 4-[4-(2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル)-4,5,6,7,8,9-ヘキサヒドロ-1H-シクロオクタトリアゾール-1-イル]安息香酸エチル
  • エチル 4-[4-(2,5-ジオキソ-2,5-ジヒドロ-1H-ピロール-1-イル)-1H,4H,5H,6H,7H,8H,9H-シクロオクタ[d][1,2,3]トリアゾール-1-イル]ベンゾアート
  • ethyl 4-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1H,4H,5H,6H,7H,8H,9H-cycloocta[d][1,2,3]triazol-1-yl]benzoate
Other name (1)：
  • 4-[4-(2,5-Dioxo-2,5-dihydro-1H-pyrrole-1-yl)-4,5,6,7,8,9-hexahydro-1H-cyclooctatriazole-1-yl]benzoic acid ethyl ester
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