Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(C#N)=C(NC(=O)COC(=O)C2=CC=CS2)C=C1

InChIKey

InChIKey=AMWZBCCYNRWMIU-UHFFFAOYSA-N

Formula

C14H9N3O5S

Mass

331.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Anilide - Benzonitrile - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - N-arylamide - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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