Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=C(SCC(=O)NC2CCCC2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=ALYMUADOBOHLSJ-UHFFFAOYSA-N

Formula

C15H18N2O5S

Mass

338.38

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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

Nitrobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrobenzoate - Benzoate ester - P-sulfanylbenzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophenol ether - Alkylarylthioether - Methyl ester - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Carboxylic acid derivative - Organic oxoazanium - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.

External Descriptors

Not available

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