Chem
J-GLOBAL ID：200907067503828747   Nikkaji number：J1.011.550G

3-Nitro-4-(4-benzoylhexahydro-1H-1,4-diazepine-1-yl)benzoic acid methyl ester

メチル 4-(4-ベンゾイル-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： C20H21N2[N+]O4[O-]
Molecular formula furigana： C20-H21-N3-O5
Molecular weight： 383.404
InChI： InChI=1S/C20H21N3O5/c1-28-20(25)16-8-9-17(18(14-16)23(26)27)21-10-5-11-22(13-12-21)19(24)15-6-3-2-4-7-15/h2-4,6-9,14H,5,10-13H2,1H3
InChI key： AANHFPOGHOVMSH-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(N2CCCN(CC2)C(=O)c2ccccc2)c(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 3-ニトロ-4-(4-ベンゾイルヘキサヒドロ-1H-1,4-ジアゼピン-1-イル)安息香酸メチル
  • メチル 4-(4-ベンゾイル-1,4-ジアゼパン-1-イル)-3-ニトロベンゾアート
  • methyl 4-(4-benzoyl-1,4-diazepan-1-yl)-3-nitrobenzoate
Other name (1)：
  • 3-Nitro-4-(4-benzoylhexahydro-1H-1,4-diazepine-1-yl)benzoic acid methyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM