Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(C=C1)C(=O)N1CCN=C1SCC1=CC(=CC=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=DAKNEGHUWGXFJG-UHFFFAOYSA-N

Formula

C18H16N4O5S

Mass

400.41

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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 - P-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Toluene - 2-imidazoline - Isothiourea - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Sulfenyl compound - Carboximidamide - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - 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

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