Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(N1CC1=CC2=C(OCO2)C=C1)C1=CC(Br)=CC=C1)C(N)=O

InChIKey

InChIKey=HBWNIXKHPPPJGA-UHFFFAOYSA-N

Formula

C20H17BrN2O3

Mass

413.271

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

Benzodioxoles Pyrrole carboxamides Bromobenzenes Aryl bromides Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-phenylpyrrole - Benzodioxole - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-3-carboxamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Acetal - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

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