Chem
J-GLOBAL ID:200907051252116404   Nikkaji number:J2.070.431D

2-(3-Nitrophenyl)-5-(benzyloxy)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid tert-butyl ester

2-(3-ニトロフェニル)-5-(ベンジルオキシ)-6-オキソ-1,6-ジヒドロピリミジン-4-カルボン酸tert-ブチル
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: C22H21N2[N+]O5[O-]
Molecular formula furigana: C22-H21-N3-O6
Molecular weight: 423.425
InChI: InChI=1S/C22H21N3O6/c1-22(2,3)31-21(27)17-18(30-13-14-8-5-4-6-9-14)20(26)24-19(23-17)15-10-7-11-16(12-15)25(28)29/h4-12H,13H2,1-3H3,(H,23,24,26)
InChI key: IWNCFIOGYYDNLF-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)c1nc([nH]c(=O)c1OCc1ccccc1)c1cccc(c1)[N+](=O)[O-]
Systematic name  (3):
  • 2-(3-ニトロフェニル)-5-(ベンジルオキシ)-6-オキソ-1,6-ジヒドロピリミジン-4-カルボン酸tert-ブチル
  • tert-ブチル 5-(ベンジルオキシ)-2-(3-ニトロフェニル)-6-オキソ-1,6-ジヒドロピリミジン-4-カルボキシラート
  • tert-butyl 5-(benzyloxy)-2-(3-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxylate
Other name (1):
  • 2-(3-Nitrophenyl)-5-(benzyloxy)-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid tert-butyl ester
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