Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CC=C1)S(=O)(=O)OC1=CC=C(C=C1)C(=O)NNC(=O)C1=CN=CC=C1

InChIKey

InChIKey=HBLJCVKLEFTFLV-UHFFFAOYSA-N

Formula

C19H14N4O7S

Mass

442.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzenesulfonate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzenesulfonate ester - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Nicotinamide - Nitrobenzene - Pyridine carboxylic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Pyridine - Organosulfonic acid ester - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitro compound - Carboxylic acid hydrazide - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.

External Descriptors

Not available

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