Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)C(=C\C1=C(Cl)C=C(Cl)C=C1)\N1C=CN=C1

InChIKey

InChIKey=NHUBNGBTNGRPMH-MFOYZWKCSA-N

Formula

C18H11Cl3N2O

Mass

377.65

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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

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - N-substituted imidazole - Acryloyl-group - Azole - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Imidazole - Ketone - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

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

External Descriptors

Not available

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