Compound Identification
SMILES
COC(=O)C(C(=O)C(=O)NC1=CC=CC=C1C(C)=O)C1=NC2=C(NC1=O)C=C(Cl)C=C2
InChIKey
InChIKey=NWTHLIWIZUXDIM-UHFFFAOYSA-N
Formula
C21H16ClN3O6
Mass
441.82
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
Quinoxalines Anilides Acetophenones Benzoyl derivatives Aryl alkyl ketones N-arylamides Beta-keto acids and derivatives Fatty acid esters Fatty amides Aryl chlorides Pyrazines 1,3-dicarbonyl compounds Methyl esters Heteroaromatic compounds Vinylogous amides Lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Diazanaphthalene - Quinoxaline - Acetophenone - Anilide - Benzoyl - N-arylamide - Aryl alkyl ketone - Beta-keto acid - Fatty acid ester - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Keto acid - Pyrazine - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Vinylogous amide - Methyl ester - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organochloride - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic 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