Chem
J-GLOBAL ID：200907008116418160   Nikkaji number：J2.691.747F

3-(2-Isopropyl-5-nitrobenzyl)benzoic acid methyl ester

3-(2-イソプロピル-5-ニトロベンジル)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： C18H19[N+]O3[O-]
Molecular formula furigana： C18-H19-N-O4
Molecular weight： 313.353
InChI： InChI=1S/C18H19NO4/c1-12(2)17-8-7-16(19(21)22)11-15(17)10-13-5-4-6-14(9-13)18(20)23-3/h4-9,11-12H,10H2,1-3H3
InChI key： RFQAOILMSUPSRO-UHFFFAOYSA-N
SMILES： COC(=O)c1cccc(Cc2cc(ccc2C(C)C)[N+](=O)[O-])c1
Systematic name  (3)：
  • 3-(2-イソプロピル-5-ニトロベンジル)安息香酸メチル
  • メチル 3-{[5-ニトロ-2-(プロパン-2-イル)フェニル]メチル}ベンゾアート
  • methyl 3-{[5-nitro-2-(propan-2-yl)phenyl]methyl}benzoate
Other name (1)：
  • 3-(2-Isopropyl-5-nitrobenzyl)benzoic acid methyl ester
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