Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC2=CC=C(Cl)C=C2)C=CC(C=C(C#N)C(=O)C2=CC(=CC=C2)[N+]([O-])=O)=C1

InChIKey

InChIKey=CKNQTXDEIZSQGX-UHFFFAOYSA-N

Formula

C25H19ClN2O5

Mass

462.89

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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 homomonocyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzoyl - Aryl ketone - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic salt - Organic cation - Aromatic homomonocyclic 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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