Chem
J-GLOBAL ID：200907064516274075   Nikkaji number：J1.011.551E

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

3-ニトロ-4-[4-(モルホリノカルボニル)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： C17H22N3[N+]O5[O-]
Molecular formula furigana： C17-H22-N4-O6
Molecular weight： 378.385
InChI： InChI=1S/C17H22N4O6/c1-26-16(22)13-2-3-14(15(12-13)21(24)25)18-4-6-19(7-5-18)17(23)20-8-10-27-11-9-20/h2-3,12H,4-11H2,1H3
InChI key： GWYGDNYRWGJHGQ-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(N2CCN(CC2)C(=O)N2CCOCC2)c(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 3-ニトロ-4-[4-(モルホリノカルボニル)ピペラジノ]安息香酸メチル
  • メチル 4-[4-(モルホリン-4-カルボニル)ピペラジン-1-イル]-3-ニトロベンゾアート
  • methyl 4-[4-(morpholine-4-carbonyl)piperazin-1-yl]-3-nitrobenzoate
Other name (1)：
  • 3-Nitro-4-[4-(morpholinocarbonyl)piperazino]benzoic acid methyl ester
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