Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)OC1C(CN(C1CCOC(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1)N=[N+]=[N-]

InChIKey

InChIKey=VQXLLBFHWDBSMY-UHFFFAOYSA-N

Formula

C21H22N4O6S

Mass

458.49

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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 - Benzamide - Benzoyl - N-acylpyrrolidine - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Azo compound - Azo imide - Carboxamide group - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organooxygen 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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