Compound Identification
SMILES
OCCCNC(CC(=O)C1=CC=C(Br)C=C1)C(O)=O
InChIKey
InChIKey=ZCHPQNRKKSIOGQ-UHFFFAOYSA-N
Formula
C13H16BrNO4
Mass
330.178
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
Butyrophenones Alpha amino acids Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Bromobenzenes Aryl bromides Beta-amino ketones 1,3-aminoalcohols Amino acids Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Hydrocarbon derivatives Primary alcohols Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - Aryl alkyl ketone - Gamma-keto acid - Benzoyl - Bromobenzene - Halobenzene - Benzenoid - Keto acid - Beta-aminoketone - Aryl halide - Monocyclic benzene moiety - Aryl bromide - 1,3-aminoalcohol - Amino acid or derivatives - Amino acid - Alkanolamine - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Primary alcohol - Alcohol - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - 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