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CHEBI:228756 - 5-[4-(tert-butyl)phenoxy]-6-nitroisoindoline-1,3-dione

ChEBI IDCHEBI:228756
ChEBI Name5-[4-(tert-butyl)phenoxy]-6-nitroisoindoline-1,3-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16N2O5
Net Charge0
Average Mass340.335
Monoisotopic Mass340.10592
SMILESCC(C)(C)c1ccc(Oc2cc3c(cc2[N+](=O)[O-])C(=O)NC3=O)cc1
InChIInChI=1S/C18H16N2O5/c1-18(2,3)10-4-6-11(7-5-10)25-15-9-13-12(8-14(15)20(23)24)16(21)19-17(13)22/h4-9H,1-3H3,(H,19,21,22)
InChIKeyMIIHFBZEXNZBNU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
5-[4-(tert-butyl)phenoxy]-6-nitroisoindoline-1,3-dione (CHEBI:228756) is a aromatic ether (CHEBI:35618)
IUPAC Name 
5-(4-tert-butylphenoxy)-6-nitroisoindole-1,3-dione
Manual XrefsDatabases
2079605ChemSpider