Chem
J-GLOBAL ID：201407007856724691   Nikkaji number：J3.270.908G

1-Benzyl-5-(4-nitrophenyl)-1H-imidazole 4-(2-(acetylamino)propionic acid methyl) ester

1-ベンジル-5-(4-ニトロフェニル)-1H-イミダゾール4-(2-(アセチルアミノ)プロピオン酸メチル)
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： C22H22N3[N+]O4[O-]
Molecular formula furigana： C22-H22-N4-O5
Molecular weight： 422.441
InChI： InChI=1S/C22H22N4O5/c1-15(27)24-20(22(28)31-2)12-19-21(17-8-10-18(11-9-17)26(29)30)25(14-23-19)13-16-6-4-3-5-7-16/h3-11,14,20H,12-13H2,1-2H3,(H,24,27)
InChI key： FESVJYNPKCJHBF-UHFFFAOYSA-N
SMILES： COC(=O)C(Cc1ncn(Cc2ccccc2)c1c1ccc(cc1)[N+](=O)[O-])NC(=O)C
Systematic name  (3)：
  • 1-ベンジル-5-(4-ニトロフェニル)-1H-イミダゾール4-(2-(アセチルアミノ)プロピオン酸メチル)
  • メチル 3-[1-ベンジル-5-(4-ニトロフェニル)-1H-イミダゾール-4-イル]-2-アセトアミドプロパノアート
  • methyl 3-[1-benzyl-5-(4-nitrophenyl)-1H-imidazol-4-yl]-2-acetamidopropanoate
Other name (1)：
  • 1-Benzyl-5-(4-nitrophenyl)-1H-imidazole 4-(2-(acetylamino)propionic acid methyl) ester
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