Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)SC2=C1CCC2

InChIKey

InChIKey=KMIIQDMCLSJZMD-UHFFFAOYSA-N

Formula

C15H13N3O6S

Mass

363.34

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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 heteropolycyclic compounds

Substituents

Nitrobenzene - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Aniline or substituted anilines - Thiophene carboxylic acid or derivatives - N-arylated-2-aminothiophene - 2-aminothiophene - Heteroaromatic compound - Vinylogous amide - Thiophene - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Secondary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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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