Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(=O)(=O)C2=CC(=C(C)C=C2)[N+]([O-])=O)C=CC(C=NNC(=O)C2=CC=C(N)C=C2)=C1

InChIKey

InChIKey=VTICMEXLZCZWPH-UHFFFAOYSA-N

Formula

C22H20N4O7S

Mass

484.48

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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 homomonocyclic compounds

Substituents

P-methylbenzenesulfonate - Benzenesulfonate ester - Aminobenzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Benzoic acid or derivatives - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Nitroaromatic compound - Aniline or substituted anilines - Benzoyl - Toluene - Alkyl aryl ether - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic 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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