Chem
J-GLOBAL ID：200907075188510582   Nikkaji number：J1.011.553A

3-Nitro-4-[4-(phenylcarbamoyl)piperazino]benzoic acid methyl ester

3-ニトロ-4-[4-(フェニルカルバモイル)ピペラジノ]安息香酸メチル
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： C19H20N3[N+]O4[O-]
Molecular formula furigana： C19-H20-N4-O5
Molecular weight： 384.392
InChI： InChI=1S/C19H20N4O5/c1-28-18(24)14-7-8-16(17(13-14)23(26)27)21-9-11-22(12-10-21)19(25)20-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3,(H,20,25)
InChI key： ZKCCDYYGUQNYHD-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(N2CCN(CC2)C(=O)Nc2ccccc2)c(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 3-ニトロ-4-[4-(フェニルカルバモイル)ピペラジノ]安息香酸メチル
  • メチル 3-ニトロ-4-[4-(フェニルカルバモイル)ピペラジン-1-イル]ベンゾアート
  • methyl 3-nitro-4-[4-(phenylcarbamoyl)piperazin-1-yl]benzoate
Other name (1)：
  • 3-Nitro-4-[4-(phenylcarbamoyl)piperazino]benzoic acid methyl ester
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