Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC2=NN=C(S2)C2=CC=C(C=C2)[N+]([O-])=O)C=C(C)C=C1

InChIKey

InChIKey=OWBJAZJGNFFGPZ-UHFFFAOYSA-N

Formula

C16H14N4O3S

Mass

342.37

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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 heteromonocyclic compounds

Substituents

Nitrobenzene - Methoxyaniline - Anisole - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - 2-amino-5-substituted-1,3,4-thiadiazole - Alkyl aryl ether - Toluene - 2-amino-1,3,4-thiadiazole - Azole - Heteroaromatic compound - Thiadiazole - Organic nitro compound - C-nitro compound - Organoheterocyclic compound - Azacycle - Ether - Organic oxoazanium - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic oxide - Organic zwitterion - 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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