Structure Information
Structure

Compound Identification

SMILES

C[C@H](N[C@H](CC(=O)C1=CC=C(Br)C=C1)C(O)=O)C1=CC=CC=C1

InChIKey

InChIKey=PBAINNIDDTZARI-BLLLJJGKSA-N

Formula

C18H18BrNO3

Mass

376.25

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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 - D-alpha-amino acid - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Aralkylamine - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Keto acid - Beta-aminoketone - Amino acid or derivatives - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic nitrogen compound - Organic oxide - Amine - Organonitrogen compound - 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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