Structure Information
Structure

Compound Identification

SMILES

[Na+].CC1=CC(=NN1CC1=C(OCC2=CC=CC=C2)C=CC(Br)=C1)C([O-])=O

InChIKey

InChIKey=XEGLLOLFKNHDLO-UHFFFAOYSA-M

Formula

C19H16BrN2NaO3

Mass

423.242

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Pyrazole carboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenoxy compound - Phenol ether - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Ether - Azacycle - Organic zwitterion - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.

External Descriptors

Not available

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