Structure Information
Structure

Compound Identification

SMILES

COC1=CC(NC=C(C#N)C2=NC(=CS2)C2=CC(=CC=C2)[N+]([O-])=O)=CC(OC)=C1OC

InChIKey

InChIKey=IFDJCOVYJLXXBS-UHFFFAOYSA-N

Formula

C21H18N4O5S

Mass

438.46

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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

Aminophenyl ether - Nitrobenzene - Methoxyaniline - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Enamine - Ether - Carbonitrile - Nitrile - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Amine - Cyanide - 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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