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CHEBI:120566 - 5,5-dimethyl-2-[3-(4-methylanilino)-1-oxoprop-2-enyl]cyclohexane-1,3-dione

ChEBI IDCHEBI:120566
ChEBI Name5,5-dimethyl-2-[3-(4-methylanilino)-1-oxoprop-2-enyl]cyclohexane-1,3-dione
Stars
Last Modified4 March 2018
DownloadsMolfile
FormulaC18H21NO3
Net Charge0
Average Mass299.370
Monoisotopic Mass299.15214
SMILESCc1ccc(NC=CC(=O)C2C(=O)CC(C)(C)CC2=O)cc1
InChIInChI=1S/C18H21NO3/c1-12-4-6-13(7-5-12)19-9-8-14(20)17-15(21)10-18(2,3)11-16(17)22/h4-9,17,19H,10-11H2,1-3H3
InChIKeyWLZFCGHZFXJZHX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
5,5-dimethyl-2-[3-(4-methylanilino)-1-oxoprop-2-enyl]cyclohexane-1,3-dione (CHEBI:120566) is a aminotoluene (CHEBI:22531)
5,5-dimethyl-2-[3-(4-methylanilino)-1-oxoprop-2-enyl]cyclohexane-1,3-dione (CHEBI:120566) is a β-triketone (CHEBI:140323)
Manual XrefsDatabases
LSM-32009LINCS