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CHEBI:194280 - methyl 6-[(4-chlorophenyl)thio]-5-nitronicotinate
| Formula | C13H9ClN2O4S |
| Net Charge | 0 |
| Average Mass | 324.745 |
| Monoisotopic Mass | 323.99716 |
| SMILES | COC(=O)c1cnc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 |
| InChI | InChI=1S/C13H9ClN2O4S/c1-20-13(17)8-6-11(16(18)19)12(15-7-8)21-10-4-2-9(14)3-5-10/h2-7H,1H3 |
| InChIKey | NAYAHIXHOQSKND-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | peripheral blood mononuclear cell (BTO:0001025) | MetaboLights (MTBLS6661) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl 6-[(4-chlorophenyl)thio]-5-nitronicotinate (CHEBI:194280) is a aryl sulfide (CHEBI:35683) |
| IUPAC Name |
|---|
| methyl 6-(4-chlorophenyl)sulanyl-5-nitropyridine-3-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 2028330 | ChemSpider |