Structure Information
Structure

Compound Identification

SMILES

CCCCC1=NN=C(SCC2=CC=CC(=C2)C(=O)OC)N1CC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=JNDSTAXWXLWKBS-UHFFFAOYSA-N

Formula

C22H24N4O4S

Mass

440.52

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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 - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Alkylarylthioether - Azole - Heteroaromatic compound - 1,2,4-triazole - Methyl ester - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Thioether - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - 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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