Structure Information
Structure

Compound Identification

SMILES

CCC(=O)OC1=C(C=NNC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C(Br)C=C1

InChIKey

InChIKey=GQNJMLMNAISWMN-UHFFFAOYSA-N

Formula

C17H14BrN3O5

Mass

420.219

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol esters

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Phenol ester - Benzoic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.

External Descriptors

Not available

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