Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)CC(C#N)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=OEJASABQGRGVKG-UHFFFAOYSA-N

Formula

C17H12ClNO3

Mass

313.74

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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 heteropolycyclic compounds

Substituents

Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzodioxole - Benzoyl - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Ketone - Carbonitrile - Oxacycle - Organoheterocyclic compound - Acetal - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Aldehyde - Aromatic heteropolycyclic 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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