Structure Information
Structure

Compound Identification

SMILES

CNC1=C(C=C(C=CC(=O)C2=CC(Br)=CC=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=AUAXPXPWLKQQFD-UHFFFAOYSA-N

Formula

C16H13BrN2O3

Mass

361.195

Export to:

JSON SDF CSV

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 - Benzoyl - Nitroaromatic compound - Styrene - Phenylalkylamine - Aniline or substituted anilines - Aryl ketone - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Organic nitro compound - Ketone - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organic oxoazanium - Organic zwitterion - Organic oxide - Amine - Organohalogen compound - Organic oxygen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic salt - 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

Previous Back Next