Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=C(NC2=NC(=CS2)C2=CC(=CC=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=YEKBDEKDNHIITG-UHFFFAOYSA-N

Formula

C16H11N3O4S

Mass

341.34

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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 heteromonocyclic compounds

Substituents

Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Azole - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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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