Compound Identification
SMILES
CC(Br)C(=O)C1=CC=C(C=C1N)C(O)C(O)=O
InChIKey
InChIKey=PWZLXGBOEIZQNA-UHFFFAOYSA-N
Formula
C11H12BrNO4
Mass
302.124
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
-
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
Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Hydroxy fatty acids Halogenated fatty acids Branched fatty acids Alpha-branched alpha,beta-unsaturated ketones Alpha hydroxy acids and derivatives Vinylogous amides Enones Alpha-haloketones Acryloyl compounds Secondary alcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organobromides Organic oxides Monoalkylamines Hydrocarbon derivatives Aromatic alcohols Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Aryl alkyl ketone - Benzoyl - Hydroxy fatty acid - Halogenated fatty acid - Branched fatty acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Hydroxy acid - Monocyclic benzene moiety - Alpha-hydroxy acid - Alpha-haloketone - Vinylogous amide - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Amino acid - Secondary alcohol - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl bromide - Alcohol - Aromatic homomonocyclic 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