Compound Identification
SMILES
NC1=CC=CC(=C1)C(=O)CC1(O)C(=O)NC2=C1C=C(Br)C=C2
InChIKey
InChIKey=XHQRKVVLZHBKRP-UHFFFAOYSA-N
Formula
C16H13BrN2O3
Mass
361.195
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
Indolines Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Beta-hydroxy ketones Aryl bromides Tertiary alcohols Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Dihydroindole - Benzoyl - Aryl alkyl ketone - Aniline or substituted anilines - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Tertiary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Alcohol - Organohalogen compound - Organobromide - Organonitrogen compound - Primary amine - Amine - 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