Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(CNC2=CC=C(C=C2)[N+]([O-])=O)N(C)C2=CC(Br)=C(OC(C)=O)C=C12

InChIKey

InChIKey=BYGOSCXXZVBLLO-UHFFFAOYSA-N

Formula

C21H20BrN3O6

Mass

490.31

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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 and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indolecarboxylic acid derivative - N-alkylindole - Indole - Nitrobenzene - Nitroaromatic compound - Pyrrole-3-carboxylic acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic zwitterion - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.

External Descriptors

Not available

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