Compound Identification
SMILES
CN1C(=O)N(C=C1C(N)=O)C1=C(Cl)C=CC(C(=O)C2C(=O)CCCC2=O)=C1Cl
InChIKey
InChIKey=JYPQHXXTJXXHSA-UHFFFAOYSA-N
Formula
C18H15Cl2N3O5
Mass
424.23
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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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
- Level 9 Benzoylcyclohexane-1,3-diones
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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 - Alkyl-phenylketones
Direct Parent
Benzoylcyclohexane-1,3-diones
Alternative Parents
Phenylimidazoles 2-heteroaryl carboxamides Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Beta-diketones Carbonylimidazoles N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Vinylogous amides Vinylogous halides Primary carboxylic acid amides Cyclic ketones Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - 1-phenylimidazole - 2-heteroaryl carboxamide - Benzoyl - 1,3-dichlorobenzene - Aryl alkyl ketone - Imidazole-4-carbonyl group - 1,3-diketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - 1,3-dicarbonyl compound - Azole - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Imidazole - Cyclic ketone - Carboxamide group - Urea - Primary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoylcyclohexane-1,3-diones. These are alkyl-phenylketones where the alkyl group is a cyclohexane 1,3-dione.
External Descriptors
Not available