Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=C(OCC2CN(CCO2)C(=O)C2=C(C)C(Br)=CC=C2)C=CC(Cl)=C1

InChIKey

InChIKey=KJTWVZFTGORXDI-UHFFFAOYSA-N

Formula

C21H21BrClNO4

Mass

466.76

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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 heteromonocyclic compounds

Substituents

Alkyl-phenylketone - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Acetophenone - Benzamide - O-toluamide - Toluamide - Benzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Toluene - Benzenoid - Aryl chloride - Oxazinane - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Morpholine - Tertiary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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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