Structure Information
Structure

Compound Identification

SMILES

COC1=NC(CC(C)=O)C(=C(N1)OC)[N+]([O-])=O

InChIKey

InChIKey=JKTVEURIHULTHI-UHFFFAOYSA-N

Formula

C9H13N3O5

Mass

243.219

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Nitropyrimidines

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Nitropyrimidine - Hydropyrimidine - Isourea - Ketone - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxoazanium - Azacycle - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitropyrimidines. These are compounds containing a pyrimidine ring which bears a nitro group. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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