Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)C(CC1=C(Cl)C=C(Cl)C=C1)N1C=NC=N1

InChIKey

InChIKey=OWYYFMMPEVYNML-UHFFFAOYSA-N

Formula

C17H12Cl3N3O

Mass

380.65

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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 heteromonocyclic compounds

Substituents

Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Amphetamine or derivatives - Phenylketone - 1,3-dichlorobenzene - Aryl ketone - Aryl alkyl ketone - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - 1,2,4-triazole - Heteroaromatic compound - Azole - Ketone - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic 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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