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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > c-nitro compound > 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
organooxygen compound > oxacycle > oxadiazole > 1,2,4-oxadiazole > 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

Preferred term

4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid  

Type

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

charge

  • 0

formula

  • C12H11N3O5

has_functional_parent

inchi

  • InChI=1S/C12H11N3O5/c16-11(17)6-2-5-10-13-12(14-20-10)8-3-1-4-9(7-8)15(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)

inchikey

  • LQQYZJRCWBRIMW-UHFFFAOYSA-N

mass

  • 277.23280

monoisotopicmass

  • 277.06987

smiles

  • OC(=O)CCCc1nc(no1)-c1cccc(c1)[N+]([O-])=O

subset

  • 3_STAR

synonym EXACT

  • 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID
  • 4-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:41198

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