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Structure Information
Structure

Compound Identification

SMILES

OP(O)(=O)C(N=C1SC=C(N1CC=C)C1=CC=C(C=C1)[N+]([O-])=O)P(O)(O)=O

InChIKey

InChIKey=RPQVNOFEHXJEKF-UHFFFAOYSA-N

Formula

C13H15N3O8P2S

Mass

435.28

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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

Bisphosphonate - Nitrobenzene - Nitroaromatic compound - Azole - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Thiazole - Isothiourea - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organophosphorus compound - Organic oxide - 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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