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

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ChEBI Name 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester ChEBI ID CHEBI:91991 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H13F3N2O4 Net Charge 0 Average Mass 414.335 Monoisotopic Mass 414.08274 InChI InChI=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) InChIKey ANMLJLFWUCQGKZ-UHFFFAOYSA-N SMILES C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F ChEBI Ontology Outgoing 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester (CHEBI:91991) is a benzofurans (CHEBI:35259) Synonyms Sources BA 7602-06 DrugCentral somalgen DrugCentral Manual Xrefs Databases 2559 DrugCentral LSM-1960 LINCS View more database links Registry Number Type Source 66898-62-2 CAS Registry Number DrugCentral Last Modified 22 February 2017