Chem
J-GLOBAL ID：200907049971718713   Nikkaji number：J1.011.554J

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

メチル 3-ニトロ-4-[4-(フェニルカルバモイル)-1,4-ジアゼパン-1-イル]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： C20H22N3[N+]O4[O-]
Molecular formula furigana： C20-H22-N4-O5
Molecular weight： 398.419
InChI： InChI=1S/C20H22N4O5/c1-29-19(25)15-8-9-17(18(14-15)24(27)28)22-10-5-11-23(13-12-22)20(26)21-16-6-3-2-4-7-16/h2-4,6-9,14H,5,10-13H2,1H3,(H,21,26)
InChI key： DLOSLFNZAPCKNN-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(N2CCCN(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)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 3-ニトロ-4-[4-(フェニルカルバモイル)-1,4-ジアゼパン-1-イル]ベンゾアート
  • methyl 3-nitro-4-[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]benzoate
Other name (1)：
  • 3-Nitro-4-[4-(phenylcarbamoyl)hexahydro-1H-1,4-diazepine-1-yl]benzoic acid methyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM