Compound Identification
SMILES
NC1=C(Cl)C=CC(=C1)C(=O)OCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1
InChIKey
InChIKey=FKFIAYCMAIALRV-UHFFFAOYSA-N
Formula
C21H16ClNO3
Mass
365.81
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
Biphenyls and derivatives Benzoic acid esters Aminobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Chlorobenzenes Aryl chlorides Carboxylic acid esters Amino acids and derivatives Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Biphenyl - Aminobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Aniline or substituted anilines - Aryl alkyl ketone - Benzoyl - Chlorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organohalogen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organochloride - 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