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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > 4-[(5-bromo-8-quinolinyl)amino]-4-oxobutanoic acid

Preferred term

4-[(5-bromo-8-quinolinyl)amino]-4-oxobutanoic acid  

Type

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

charge

  • 0

formula

  • C13H11BrN2O3

inchi

  • InChI=1S/C13H11BrN2O3/c14-9-3-4-10(13-8(9)2-1-7-15-13)16-11(17)5-6-12(18)19/h1-4,7H,5-6H2,(H,16,17)(H,18,19)

inchikey

  • KMHQKWLYTLTVQO-UHFFFAOYSA-N

mass

  • 323.142

monoisotopicmass

  • 321.99530

smiles

  • C1=CC2=C(C=CC(=C2N=C1)NC(=O)CCC(=O)O)Br

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93976

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