Compound Identification
SMILES
CC1=C(N=NN1C1=CC=C(Cl)C=C1)C(=O)OC(N1C=NC=N1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=AOVLJKSXZCYDGF-UHFFFAOYSA-N
Formula
C20H15ClN6O3
Mass
422.83
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
Phenyl-1,2,3-triazoles Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,3-triazole - Benzoyl - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - 1,2,4-triazole - 1,2,3-triazole - Triazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic 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