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CHEBI:41173 - 1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one

ChEBI IDCHEBI:41173
ChEBI Name1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC20H20F3N3O5
Net Charge0
Average Mass439.390
Monoisotopic Mass439.13551
SMILES[H]Oc1c([H])c(C(=O)C([H])([H])C([H])([H])N2C([H])([H])C([H])([H])N(c3c([H])c([H])c([H])c(C(F)(F)F)c3[H])C([H])([H])C2([H])[H])c([H])c([N+](=O)[O-])c1O[H]
InChIInChI=1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2
InChIKeyKVIVJQWOYSWCCZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one (CHEBI:41173) is a C-nitro compound (CHEBI:35716)
1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one (CHEBI:41173) is a N-alkylpiperazine (CHEBI:46845)
1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one (CHEBI:41173) is a N-arylpiperazine (CHEBI:46848)
1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one (CHEBI:41173) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONEPDBeChem
1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-onePDBeChem
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