Chem
J-GLOBAL ID：200907013289092484   Nikkaji number：J1.011.552C

3-Nitro-4-[4-(morpholinocarbonyl)hexahydro-1H-1,4-diazepine-1-yl]benzoic acid methyl ester

メチル 4-[4-(モルホリン-4-カルボニル)-1,4-ジアゼパン-1-イル]-3-ニトロベンゾアート
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： C18H24N3[N+]O5[O-]
Molecular formula furigana： C18-H24-N4-O6
Molecular weight： 392.412
InChI： InChI=1S/C18H24N4O6/c1-27-17(23)14-3-4-15(16(13-14)22(25)26)19-5-2-6-20(8-7-19)18(24)21-9-11-28-12-10-21/h3-4,13H,2,5-12H2,1H3
InChI key： DVCABVNCUZTING-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(N2CCCN(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)ヘキサヒドロ-1H-1,4-ジアゼピン-1-イル]安息香酸メチル
  • メチル 4-[4-(モルホリン-4-カルボニル)-1,4-ジアゼパン-1-イル]-3-ニトロベンゾアート
  • methyl 4-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-3-nitrobenzoate
Other name (1)：
  • 3-Nitro-4-[4-(morpholinocarbonyl)hexahydro-1H-1,4-diazepine-1-yl]benzoic acid methyl ester
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