Structure Information
Structure

Compound Identification

SMILES

COC1=NC(OC)=C(C(CC(C)=O)[N-]1)[N+]([O-])=O

InChIKey

InChIKey=OULANGKCKVCLSQ-UHFFFAOYSA-N

Formula

C9H12N3O5

Mass

242.212

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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 - 1,6-dihydropyrimidine - Ketone - C-nitro compound - Organic nitro compound - Carbene-type 1,3-dipolar compound - Organic oxoazanium - Azacycle - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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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