Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C(=O)CC(CCC(=O)NC1=C(Cl)C=C(Cl)C=C1)=NNC(=O)C(N)=O
InChIKey
InChIKey=OGKLSMDPWRITTR-UHFFFAOYSA-N
Formula
C21H20Cl2N4O6
Mass
495.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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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 and derivatives Methoxyphenols Anilides Semioxamazones Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Aryl alkyl ketones Dichlorobenzenes Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fatty amides Aryl chlorides Secondary carboxylic acid amides Primary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Methoxyphenol - Alpha-amino acid or derivatives - Anilide - 1,3-dichlorobenzene - Phenoxy compound - Benzoyl - Phenol ether - Semioxamazone - N-arylamide - Aryl alkyl ketone - Methoxybenzene - Anisole - Phenol - Alkyl aryl ether - Chlorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Aryl halide - Aryl chloride - Benzenoid - Fatty amide - Fatty acyl - Monocyclic benzene moiety - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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