Structure Information
Structure

Compound Identification

SMILES

CC1=NC(NC2=NC(NC3=CC=CC(C)=N3)=C(C=C2[N+]([O-])=O)[N+]([O-])=O)=CC=C1

InChIKey

InChIKey=ISDJZWLQRSVZMP-UHFFFAOYSA-N

Formula

C17H15N7O4

Mass

381.352

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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 - Aminopyridine - Methylpyridine - Pyridine - Imidolactam - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic zwitterion - Amine - Organonitrogen compound - Organic oxygen compound - 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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