Structure Information
Structure

Compound Identification

SMILES

COC(=O)\C=C(/C)NC1=C(SSC2=C(N)C(C)=CC(=C2)[N+]([O-])=O)C=C(C=C1C)[N+]([O-])=O

InChIKey

InChIKey=PQLKUOOSDVHAHT-KPKJPENVSA-N

Formula

C19H20N4O6S2

Mass

464.51

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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 - Nitrotoluene - Nitroaromatic compound - Aniline or substituted anilines - Aminotoluene - Fatty acid ester - Toluene - Fatty acyl - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic disulfide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Sulfenyl compound - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - Organic oxide - Amine - Organic zwitterion - Organic salt - Carbonyl group - 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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