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Concept information

organooxygen compound > oxacycle > benzofurans > 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1h-isobenzofuran-1-yl) ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1h-isobenzofuran-1-yl) ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzofurans > 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1h-isobenzofuran-1-yl) ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1h-isobenzofuran-1-yl) ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzofurans > 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1h-isobenzofuran-1-yl) ester

Preferred term

2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1h-isobenzofuran-1-yl) ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H13F3N2O4

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

mass

  • 414.335

monoisotopicmass

  • 414.08274

smiles

  • C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91991

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