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

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ChEBI Name 5-(2-chloro-6-methylphenoxy)-1,3-dimethyl-4-nitro-1H-pyrazole
ChEBI ID CHEBI:228620
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H12ClN3O3
Net Charge 0
Average Mass 281.700
Monoisotopic Mass 281.05672
InChI InChI=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
InChIKey SWERPQGNCCWTCE-UHFFFAOYSA-N
SMILES ClC=1C(OC=2N(N=C(C2[N+]([O-])=O)C)C)=C(C=CC1)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
2085811 ChemSpider
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