EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228591 - 3-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2-(2-furylcarbonyl)acrylonitrile

ChEBI IDCHEBI:228591
ChEBI Name3-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2-(2-furylcarbonyl)acrylonitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H8ClN3O2
Net Charge0
Average Mass261.668
Monoisotopic Mass261.03050
SMILESCn1cc(Cl)c(C=C(C#N)C(=O)c2ccco2)n1
InChIInChI=1S/C12H8ClN3O2/c1-16-7-9(13)10(15-16)5-8(6-14)12(17)11-3-2-4-18-11/h2-5,7H,1H3
InChIKeyMKHFKROZEIOIJF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
3-(4-chloro-1-methyl-1H-pyrazol-3-yl)-2-(2-furylcarbonyl)acrylonitrile (CHEBI:228591) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
3-(4-chloro-1-methylpyrazol-3-yl)-2-(uran-2-carbonyl)prop-2-enenitrile
Manual XrefsDatabases
2008946ChemSpider