Compound Identification
SMILES
CC1=CC(C(=O)C2=CN(C3=CC=CC(=C3)C(F)(F)F)C(=O)C(=C2)C#N)=C(O)C=C1
InChIKey
InChIKey=MXKAKSBDROQPMX-UHFFFAOYSA-N
Formula
C21H13F3N2O3
Mass
398.341
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
Trifluoromethylbenzenes Pyridinecarboxylic acids and derivatives 3-pyridinecarbonitriles Benzoyl derivatives Para cresols Dihydropyridines 1-hydroxy-2-unsubstituted benzenoids Pyridinones Toluenes Vinylogous amides Heteroaromatic compounds Vinylogous acids Lactams Nitriles Azacyclic compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Trifluoromethylbenzene - Pyridine carboxylic acid or derivatives - P-cresol - 3-pyridinecarbonitrile - Benzoyl - Phenol - Toluene - Pyridinone - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyridine - Hydropyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Lactam - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available