Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=YVDRIMBJZUHZFL-ZETCQYMHSA-N

Formula

C11H12N4O4

Mass

264.241

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic 1,3-dipolar compounds

Class

Allyl-type 1,3-dipolar organic compounds

Subclass

Organic nitro compounds

Intermediate Tree Nodes

C-nitro compounds

Direct Parent

Nitroaromatic compounds

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitroaromatic compound - Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic zwitterion - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Cyanide - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.

External Descriptors

Not available

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