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Structure Information
Structure

Compound Identification

SMILES

CCC(C)NC1=NC(N)=C(C(NCC2=CC=CO2)=N1)[N+]([O-])=O

InChIKey

InChIKey=SSOQKBNOMLUIQC-UHFFFAOYSA-N

Formula

C13H18N6O3

Mass

306.326

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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 - Aminopyrimidine - Pyrimidine - Imidolactam - Furan - Heteroaromatic compound - Organic oxoazanium - Oxacycle - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Amine - Organic salt - Organic zwitterion - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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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