Compound Identification
SMILES
COC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)C1=CC(Cl)=C(OC)C=C1
InChIKey
InChIKey=TZEJLWIZYOMJCW-UHFFFAOYSA-N
Formula
C20H20ClNO6
Mass
405.83
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
Beta amino acids and derivatives Benzamides Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Alpha-acyloxy ketones Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Anisole - Phenoxy compound - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Alpha-acyloxy ketone - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organonitrogen compound - Organochloride - 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