Structure Information
Structure

Compound Identification

SMILES

BrC1=CNC(=C1)C(=O)OCC(=O)N(CCC#N)CCC#N

InChIKey

InChIKey=TWDBNOJPCWZZGY-UHFFFAOYSA-N

Formula

C13H13BrN4O3

Mass

353.176

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Pyrrole carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrole carboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Pyrrole-2-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Cyanide - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).

External Descriptors

Not available

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