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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid
ChEBI ID CHEBI:107985
Stars This entity has been manually annotated by a third party.
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Formula C18H14N2O7S
Net Charge 0
Average Mass 402.380
Monoisotopic Mass 402.05217
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
SMILES COC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)[N+](=O)[O-]
ChEBI Ontology
Outgoing 2-[[1-(4-methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid (CHEBI:107985) is a pyrrolidines (CHEBI:38260)
Manual Xref Database
LSM-19362 LINCS
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