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CHEBI:91991 - 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester

ChEBI IDCHEBI:91991
ChEBI Name2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC21H13F3N2O4
Net Charge0
Average Mass414.339
Monoisotopic Mass414.08274
SMILESO=C1OC(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C21H13F3N2O4/c22-21(23,24)12-5-3-6-13(11-12)26-17-16(9-4-10-25-17)19(28)30-20-15-8-2-1-7-14(15)18(27)29-20/h1-11,20H,(H,25,26)
InChIKeyANMLJLFWUCQGKZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester (CHEBI:91991) is a benzofurans (CHEBI:35259)
Synonyms  Source
somalgenDrugCentral
BA 7602-06DrugCentral
Manual XrefsDatabases
LSM-1960LINCS
2559DrugCentral
Registry NumbersSources
CAS:66898-62-2DrugCentral