Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(SSC1=N)C(=NNC1=CC=C(C=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=OHKHHACZSNZHCJ-UHFFFAOYSA-N

Formula

C12H9N5O6S2

Mass

383.35

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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 - Nitroaromatic compound - Phenylhydrazine - Methyl ester - 1,2-dithiole - Dithiole - Heteroaromatic compound - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Hydrazone - Organic 1,3-dipolar compound - Organic oxoazanium - Amidine - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organic nitrogen compound - 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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