Structure Information
Structure

Compound Identification

SMILES

[Br-].ClC1=CC(Cl)=C(C=C1)C(=O)C[N+]12CN3CN(CN(C3)C1)C2

InChIKey

InChIKey=JOBAZAXTJCUNON-UHFFFAOYSA-M

Formula

C14H17BrCl2N4O

Mass

408.12

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Benzoyl - 1,3-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - 1,3,5-triazinane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazinane - Benzenoid - Tetraalkylammonium salt - Vinylogous halide - Quaternary ammonium salt - Aminal - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic bromide salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic salt - Organic cation - Aromatic heteropolycyclic 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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