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CHEBI:192600 - 1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}ethan-1-one

ChEBI IDCHEBI:192600
ChEBI Name1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}ethan-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14F3N3O3
Net Charge0
Average Mass317.267
Monoisotopic Mass317.09873
SMILESCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H14F3N3O3/c1-9(20)17-4-6-18(7-5-17)11-3-2-10(13(14,15)16)8-12(11)19(21)22/h2-3,8H,4-7H2,1H3
InChIKeyMUHADTFHONLQDH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}ethan-1-one (CHEBI:192600) is a piperazines (CHEBI:26144)
IUPAC Name 
1-[4-[2-nitro-4-(triluoromethyl)phenyl]piperazin-1-yl]ethanone
Manual XrefsDatabases
2077341ChemSpider