Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(O1)C(=O)C(\Br)=C/C1=CC2=C(OCO2)C=C1[N+]([O-])=O

InChIKey

InChIKey=ZWQCVFJWCOCIRG-FPYGCLRLSA-N

Formula

C14H7BrN2O8

Mass

411.12

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - Benzodioxole - Nitroaromatic compound - 2-nitrofuran - Aryl ketone - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Alpha-haloketone - Acryloyl-group - Enone - Furan - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Ketone - C-nitro compound - Organic nitro compound - Bromoalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Haloalkene - Vinyl halide - Vinyl bromide - Acetal - Oxacycle - Organic oxoazanium - Organic salt - Aldehyde - Organobromide - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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