Structure Information
Structure

Compound Identification

SMILES

CC(=O)N1C(C2=CC(=CC=C2)[N+]([O-])=O)C(=C(C)NC1=O)[N+]([O-])=O

InChIKey

InChIKey=OHWCHLOJRAAHTI-UHFFFAOYSA-N

Formula

C13H12N4O6

Mass

320.261

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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

Aromatic heteromonocyclic compounds

Substituents

Nitropyrimidine - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Benzenoid - 1,2,3,4-tetrahydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Acetamide - Dicarboximide - Organic nitro compound - Carbonic acid derivative - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Aromatic 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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