Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(C=C(C#N)C(=O)C2=CC(=CC=C2)[N+]([O-])=O)=C(C=C1)N1CCCCC1

InChIKey

InChIKey=YNTXHNHYBTWJFP-UHFFFAOYSA-N

Formula

C21H18N4O5

Mass

406.398

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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 - Phenylpiperidine - Cinnamic acid or derivatives - Nitrobenzene - Aryl ketone - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Nitroaromatic compound - Benzoyl - Piperidine - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - C-nitro compound - Organic nitro compound - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Organic oxoazanium - Azacycle - Organic oxygen compound - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic cation - 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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