Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC2=CC=C(C=C2)[N+]([O-])=O)SC(=CC2=CC=C(SC)C=C2)C1=O

InChIKey

InChIKey=OPNWTQYYOJYTFY-UHFFFAOYSA-N

Formula

C21H18N2O5S2

Mass

442.5

Export to:

JSON SDF CSV

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 - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Aniline or substituted anilines - Alkylarylthioether - Vinylogous thioester - 2,3-dihydrothiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Ketene acetal or derivatives - Ketone - C-nitro compound - Thioenolether - Cyclic ketone - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic cation - 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

Previous Back Next