Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(=C(CSC2=CC=C(N)C=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=ALZQMDUUHNKVBK-UHFFFAOYSA-N

Formula

C16H16N2O4S

Mass

332.37

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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 - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Thiophenol ether - Aniline or substituted anilines - Alkylarylthioether - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Sulfenyl compound - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - 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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