Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(NC=C2C=CC(=O)C3=C2OC(N)=C(C#N)C3C2=CC(=CC=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=PTXWHPBQQDUYAB-UHFFFAOYSA-N

Formula

C24H18N4O5

Mass

442.431

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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

Methoxyaniline - Nitrobenzene - Aminophenyl ether - Nitroaromatic compound - Anisole - P-quinomethane - Phenol ether - Methoxybenzene - Quinomethane - Aniline or substituted anilines - Phenoxy compound - Alkyl aryl ether - Pyran - Vinylogous ester - Ketene acetal or derivatives - Ketone - C-nitro compound - Organic nitro compound - Enamine - Ether - Carbonitrile - Nitrile - Allylamine - Organic oxoazanium - Oxacycle - Organoheterocyclic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Organic salt - Organopnictogen compound - Organic zwitterion - Cyanide - Amine - Organic oxygen compound - 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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