Compound Identification
SMILES
CC1=C(Cl)C=C(NC(CC(=O)C2=CC=CC=C2)C(O)=O)C=C1
InChIKey
InChIKey=CWDARYKLTKILHM-UHFFFAOYSA-N
Formula
C17H16ClNO3
Mass
317.77
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
Butyrophenones Alpha amino acids Phenylalkylamines Aminotoluenes Aniline and substituted anilines Gamma-keto acids and derivatives Aryl alkyl ketones Benzoyl derivatives Secondary alkylarylamines Chlorobenzenes Beta-amino ketones Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Toluene - Secondary aliphatic/aromatic amine - Halobenzene - Chlorobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Keto acid - Beta-aminoketone - Amino acid or derivatives - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organochloride - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Aromatic homomonocyclic 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