Structure Information
Structure

Compound Identification

SMILES

CNC1=C(C=C(C=CC(=O)C2=CC=CC=C2Br)C=C1)[N+]([O-])=O

InChIKey

InChIKey=ZXMVQXCUSNINBN-UHFFFAOYSA-N

Formula

C16H13BrN2O3

Mass

361.195

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