Compound Identification
SMILES
CC(=O)C1=C(C)C=C(OC2=NC=C(NC(=O)C3=CC(Cl)=C(Cl)C=C3)C=C2)C=C1
InChIKey
InChIKey=XDAUVAKNVNHABP-UHFFFAOYSA-N
Formula
C21H16Cl2N2O3
Mass
415.27
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 Alkyl-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
Alkyl-phenylketones
Alternative Parents
Diarylethers 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Acetophenones Benzamides Phenoxy compounds Phenol ethers Aryl alkyl ketones Dichlorobenzenes Benzoyl derivatives Toluenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Diaryl ether - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Acetophenone - Benzoic acid or derivatives - Benzamide - 1,2-dichlorobenzene - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Pyridine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Organochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available