Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CC1=NN=C(NC([O-])=C2N3N=C(C)C([N+]([O-])=O)=[N+]3N=C2C)S1

InChIKey

InChIKey=OOUTXOQSDNSCCK-UHFFFAOYSA-N

Formula

C13H14N8O5S

Mass

394.37

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

C-nitro compounds

Direct Parent

Nitroaromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Nitroaromatic compound - Azole - Thiadiazole - 1,2,3-triazole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.

External Descriptors

Not available

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