Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CC(NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)=C2C=CC(=O)C=C2)C=C1

InChIKey

InChIKey=CPSQOPDRTYTFHA-UHFFFAOYSA-N

Formula

C21H18N4O6

Mass

422.397

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Anisole - P-quinomethane - Phenol ether - Phenylhydrazine - Quinomethane - Methoxybenzene - Nitroaromatic compound - Phenoxy compound - Alkyl aryl ether - C-nitro compound - Ketone - Organic nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic salt - Hydrazine derivative - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic 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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