Compound Identification
SMILES
CCCCN1C(=O)C(O)(CC(=O)C2=CC=C(I)C=C2)C2=C1C=CC(Br)=C2
InChIKey
InChIKey=NRTKBXXHCXIJEY-UHFFFAOYSA-N
Formula
C20H19BrINO3
Mass
528.184
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
Indoles and derivatives Aryl alkyl ketones Benzoyl derivatives Iodobenzenes Beta-hydroxy ketones Aryl iodides Aryl bromides Tertiary carboxylic acid amides Tertiary alcohols Lactams Azacyclic compounds Organoiodides Organobromides Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Benzoyl - Aryl alkyl ketone - Halobenzene - Iodobenzene - Aryl bromide - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organoiodide - Organohalogen 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