Structure Information
Structure

Compound Identification

SMILES

OC(=O)C=CC1=CC(Br)=C(OCC2=CC(=CC=C2)[N+]([O-])=O)C(Br)=C1

InChIKey

InChIKey=YYBOWSOFPVMSRF-UHFFFAOYSA-N

Formula

C16H11Br2NO5

Mass

457.074

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acids

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Cinnamic acid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Styrene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids. These are organic aromatic compounds containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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