Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(NC(SCC2=CC(=CC=C2)[N+]([O-])=O)=C(C#N)C(N)=O)C=C1

InChIKey

InChIKey=LRLKUSOIOCHGLO-UHFFFAOYSA-N

Formula

C19H18N4O3S

Mass

382.44

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Xylene - O-xylene - Vinylogous thioester - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Carbonitrile - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Nitrile - Sulfenyl compound - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic oxygen compound - Cyanide - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic 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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