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Concept information

Preferred term

2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C18H14N2O7S

inchi

  • InChI=1S/C18H14N2O7S/c1-27-10-6-7-12(13(8-10)20(25)26)19-16(21)9-15(17(19)22)28-14-5-3-2-4-11(14)18(23)24/h2-8,15H,9H2,1H3,(H,23,24)

inchikey

  • VJYWONMCFNDWOF-UHFFFAOYSA-N

mass

  • 402.380

monoisotopicmass

  • 402.05217

smiles

  • COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:107985

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