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CHEBI:228620 - 5-(2-chloro-6-methylphenoxy)-1,3-dimethyl-4-nitro-1H-pyrazole

ChEBI IDCHEBI:228620
ChEBI Name5-(2-chloro-6-methylphenoxy)-1,3-dimethyl-4-nitro-1H-pyrazole
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12ClN3O3
Net Charge0
Average Mass281.699
Monoisotopic Mass281.05672
SMILESCc1cccc(Cl)c1Oc1c([N+](=O)[O-])c(C)nn1C
InChIInChI=1S/C12H12ClN3O3/c1-7-5-4-6-9(13)11(7)19-12-10(16(17)18)8(2)14-15(12)3/h4-6H,1-3H3
InChIKeySWERPQGNCCWTCE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
5-(2-chloro-6-methylphenoxy)-1,3-dimethyl-4-nitro-1H-pyrazole (CHEBI:228620) is a aromatic ether (CHEBI:35618)
IUPAC Name 
5-(2-chloro-6-methylphenoxy)-1,3-dimethyl-4-nitropyrazole
Manual XrefsDatabases
2085811ChemSpider