Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(CN)C1=CNC2=C1C=C(Br)C=C2

InChIKey

InChIKey=ZTCWXROBAPMHLK-UHFFFAOYSA-N

Formula

C13H15BrN2O2

Mass

311.179

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolyl carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Indole-3-acetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indole-3-acetic acid derivative - Beta amino acid or derivatives - 3-alkylindole - Indole - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.

External Descriptors

Not available

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