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CHEBI:107985 - 2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid

ChEBI IDCHEBI:107985
ChEBI Name2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid
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DownloadsMolfile
FormulaC18H14N2O7S
Net Charge0
Average Mass402.384
Monoisotopic Mass402.05217
SMILESCOc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)c([N+](=O)[O-])c1
InChIInChI=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)
InChIKeyVJYWONMCFNDWOF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid (CHEBI:107985) is a pyrrolidines (CHEBI:38260)
Manual XrefsDatabases
LSM-19362LINCS