Chem
J-GLOBAL ID：201307038279243048   Nikkaji number：J3.155.386E

1-(3-Nitrophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester

1-(3-ニトロフェニル)-5-(トリフルオロメチル)-1H-1,2,3-トリアゾール-4-カルボン酸エチル
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： C12H9F3N3[N+]O3[O-]
Molecular formula furigana： C12-H9-F3-N4-O4
Molecular weight： 330.223
InChI： InChI=1S/C12H9F3N4O4/c1-2-23-11(20)9-10(12(13,14)15)18(17-16-9)7-4-3-5-8(6-7)19(21)22/h3-6H,2H2,1H3
InChI key： KWOYTCVZWAMDDI-UHFFFAOYSA-N
SMILES： CCOC(=O)c1nnn(c1C(F)(F)F)c1cccc(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 1-(3-ニトロフェニル)-5-(トリフルオロメチル)-1H-1,2,3-トリアゾール-4-カルボン酸エチル
  • エチル 1-(3-ニトロフェニル)-5-(トリフルオロメチル)-1H-1,2,3-トリアゾール-4-カルボキシラート
  • ethyl 1-(3-nitrophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylate
Other name (1)：
  • 1-(3-Nitrophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
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