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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > chromones > 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > chromones > 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > chromenes > chromenone > chromones > 5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester

Preferred term

5-bromo-3-pyridinecarboxylic acid [3-(3-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C22H14BrNO5

inchi

  • InChI=1S/C22H14BrNO5/c1-13-3-2-4-16(7-13)28-20-12-27-19-9-17(5-6-18(19)21(20)25)29-22(26)14-8-15(23)11-24-10-14/h2-12H,1H3

inchikey

  • LLSXYFJOCGQBQY-UHFFFAOYSA-N

mass

  • 452.255

monoisotopicmass

  • 451.00554

smiles

  • CC1=CC(=CC=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:108448

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