Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)O[C@H]1C[C@H](N=[N+]=[N-])[C@H](OC(=O)C2=CC=C(Cl)C=C2)[C@@H](CN=[N+]=[N-])O1

InChIKey

InChIKey=GTVZYBHRETXPMQ-MHORFTMASA-N

Formula

C20H16Cl2N6O5

Mass

491.29

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monosaccharide - Dicarboxylic acid or derivatives - Oxane - Azo compound - Azo imide - Carboxylic acid ester - Oxacycle - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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