Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC1=NC(\C=C\C2=CC(=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)=CS1

InChIKey

InChIKey=AXYITKGCXWAYOP-DUXPYHPUSA-N

Formula

C13H10N4O5S

Mass

334.31

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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

N-acetylarylamine - Nitrobenzene - Nitroaromatic compound - Styrene - N-arylamide - 2,4-disubstituted 1,3-thiazole - Azole - Heteroaromatic compound - Thiazole - Acetamide - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic salt - 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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