Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC=C1COC1=CC=C(C=C2C(=O)N=C3SC(CC(=O)N4CCOCC4)=NN3C2=N)C=C1

InChIKey

InChIKey=SOTQEQWIYAARIK-UHFFFAOYSA-N

Formula

C25H22N6O6S

Mass

534.55

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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 - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Morpholine - Oxazinane - Pyrimidine - Imidolactam - Tertiary carboxylic acid amide - Thiadiazoline - Organic nitro compound - C-nitro compound - Carboxamide group - N-acylimine - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Amidine - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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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