Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)CC(C(Br)C(=O)C1=CC=C(Cl)C=C1)C1=CC=CC=C1

InChIKey

InChIKey=KEDVRSOJQOCNAM-UHFFFAOYSA-N

Formula

C16H13BrClNO3

Mass

382.64

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retro-dihydrochalcones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Alpha-haloketone - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Alkyl halide - Alkyl bromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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