Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H](C#N)[C@@]1(C)C(=O)N(C(=O)OC)C2=C1C=C(Br)C=C2

InChIKey

InChIKey=BNBJXDWMJLMULT-BMIGLBTASA-N

Formula

C15H13BrN2O5

Mass

381.182

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolecarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Indolecarboxylic acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indolecarboxylic acid - Fatty acid ester - Aryl bromide - Aryl halide - Benzenoid - Fatty acyl - Dicarboximide - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carbonyl group - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.

External Descriptors

Not available

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