Chem
J-GLOBAL ID:200907011217929379   Nikkaji number:J615.432H

1-(4-Bromophenyl)-3,3a-diphenyl-3a,6-dihydro-1H-pyrrolo[1,2-c][1,2,3]triazole-4,5-dicarboxylic acid dimethyl ester

1-(4-ブロモフェニル)-3,3a-ジフェニル-3a,6-ジヒドロ-1H-ピロロ[1,2-c][1,2,3]トリアゾール-4,5-ジカルボン酸ジメチル
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: C27H22BrN3O4
Molecular formula furigana: C27-H22-BR-N3-O4
Molecular weight: 532.394
InChI: InChI=1S/C27H22BrN3O4/c1-34-25(32)22-17-30-27(23(22)26(33)35-2,19-11-7-4-8-12-19)24(18-9-5-3-6-10-18)29-31(30)21-15-13-20(28)14-16-21/h3-16H,17H2,1-2H3
InChI key: UXZGYXWCJNOUHU-UHFFFAOYSA-N
SMILES: COC(=O)C1=C(C(=O)OC)C2(N(C1)N(N=C2c1ccccc1)c1ccc(Br)cc1)c1ccccc1
Systematic name  (3):
  • 1-(4-ブロモフェニル)-3,3a-ジフェニル-3a,6-ジヒドロ-1H-ピロロ[1,2-c][1,2,3]トリアゾール-4,5-ジカルボン酸ジメチル
  • 4,5-ジメチル 1-(4-ブロモフェニル)-3,3a-ジフェニル-1H,3aH,6H-ピロロ[1,2-c][1,2,3]トリアゾール-4,5-ジカルボキシラート
  • 4,5-dimethyl 1-(4-bromophenyl)-3,3a-diphenyl-1H,3aH,6H-pyrrolo[1,2-c][1,2,3]triazole-4,5-dicarboxylate
Other name (1):
  • 1-(4-Bromophenyl)-3,3a-diphenyl-3a,6-dihydro-1H-pyrrolo[1,2-c][1,2,3]triazole-4,5-dicarboxylic acid dimethyl ester
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