Compound Identification
SMILES
CC1=NC(Cl)=C(C=C1)C(=O)C(C(O)=O)=C(NC1=CC=CC=C1)NC1=CC=CC=C1
InChIKey
InChIKey=GQLOHJCDHYZALQ-UHFFFAOYSA-N
Formula
C22H18ClN3O3
Mass
407.85
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
- Level 6 Aryl ketones
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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
Direct Parent
Aryl ketones
Alternative Parents
2-halopyridines Beta-keto acids and derivatives Methylpyridines Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Benzene and substituted derivatives Beta-hydroxy ketones Vinylogous halides Acryloyl compounds Vinylogous amides Enones Heteroaromatic compounds Ketene acetals Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl ketone - 2-halopyridine - Methylpyridine - Beta-keto acid - Keto acid - Aryl chloride - Aryl halide - Beta-hydroxy ketone - Monocyclic benzene moiety - Pyridine - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Alpha,beta-unsaturated ketone - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Enone - Ketene acetal or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available