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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino}ethan-1-one
ChEBI ID CHEBI:192600
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H14F3N3O3
Net Charge 0
Average Mass 317.268
Monoisotopic Mass 317.09873
InChI InChI=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
InChIKey MUHADTFHONLQDH-UHFFFAOYSA-N
SMILES FC(F)(F)C1=CC([N+]([O-])=O)=C(N2CCN(CC2)C(=O)C)C=C1
Metabolite of Species Details
Valsa sordida (NCBI:txid252740) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
2077341 ChemSpider
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