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Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)P1(=S)CC(NN1C1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)=C1C=CC(=O)C=C1

InChIKey

InChIKey=HHMDPOMOWBLSQM-UHFFFAOYSA-N

Formula

C21H17N4O6PS

Mass

484.42

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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

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