Compound Identification
SMILES
COC(=O)C1=C(C(N2N=C(C=CC12)C1=CC=C(Cl)C=C1)C(=O)C1=CC=C(Br)C=C1)C(=O)OC
InChIKey
InChIKey=MGJVAGRZTPHNRU-UHFFFAOYSA-N
Formula
C24H18BrClN2O5
Mass
529.77
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
Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Pyrroline carboxylic acids Chlorobenzenes Bromobenzenes Aryl chlorides Dicarboxylic acids and derivatives Aryl bromides Pyridazines and derivatives Methyl esters Enoate esters Hydrazones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Gamma-keto acid - Pyrroline carboxylic acid - Benzoyl - Aryl alkyl ketone - Pyrroline carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Bromobenzene - Keto acid - Aryl bromide - Aryl chloride - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Pyridazine - Aryl halide - Pyrroline - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrazone - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen 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