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CHEBI:51778 - coumarin 522

ChEBI IDCHEBI:51778
ChEBI Namecoumarin 522
Stars
Last Modified11 February 2009
SubmitterInma Spiteri
DownloadsMolfile
FormulaC14H12F3NO2
Net Charge0
Average Mass283.249
Monoisotopic Mass283.08201
SMILESCN1CCCc2cc3c(C(F)(F)F)cc(=O)oc3cc21
InChIInChI=1S/C14H12F3NO2/c1-18-4-2-3-8-5-9-10(14(15,16)17)6-13(19)20-12(9)7-11(8)18/h5-7H,2-4H2,1H3
InChIKeyIMVPLRZGEHZIEM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
coumarin 522 (CHEBI:51778) is a 7-aminocoumarins (CHEBI:51769)
IUPAC Name 
9-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one
Synonym  Source
6,7,8,9-Tetrahydro-9-methyl-4-(trifluoromethyl)-2H-pyrano(3,2-q)quinolin-2-oneChemIDplus
Registry NumbersSources
Beilstein:1220944Beilstein
CAS:53518-19-7ChemIDplus