Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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