Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(=N/NC1=CC=CC=C1[N+]([O-])=O)\C(C)=NNC(N)=S

InChIKey

InChIKey=YSMFWADPTZZFEI-BQOXUTONSA-N

Formula

C13H16N6O4S

Mass

352.37

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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 - Phenylhydrazine - Fatty acid ester - Fatty acyl - Thiosemicarbazone - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Hydrazone - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Organic zwitterion - 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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