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CHEBI:44448 - 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE

Default Structure
ChEBI IDCHEBI:44448
ChEBI Name2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC14H10F3NO5
Net Charge0
Average Mass329.230
Monoisotopic Mass329.05111
SMILES[H]OC(=C1C(=O)C([H])([H])C([H])([H])C([H])([H])C1=O)c1c([H])c([H])c(C(F)(F)F)c([H])c1[N+](=O)[O-]
InChIInChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,21H,1-3H2
InChIKeyPMHVFNYNPNKNRO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE (CHEBI:44448) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONEPDBeChem
2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylidene}cyclohexane-1,3-dionePDBeChem
Manual XrefsDatabases
NTDPDBeChem