Structure Information
Structure

Compound Identification

SMILES

CCN(CC)S(=O)(=O)C1=CC(C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+]([O-])=O)C#N)=C(Cl)C=C1

InChIKey

InChIKey=HUDAYQJOAPYHLN-UHFFFAOYSA-N

Formula

C20H19ClN4O7S

Mass

494.9

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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 homomonocyclic compounds

Substituents

2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - Nitrobenzene - Benzenesulfonyl group - Anilide - Nitroaromatic compound - N-arylamide - Benzonitrile - Benzoyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Vinylogous halide - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organonitrogen compound - Organic oxide - Cyanide - Organohalogen compound - Organic salt - Organic oxygen compound - Organochloride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic 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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