Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(NC2=C(C(NC3=NC=C(C)C=C3)=NC=N2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=ILCLXCCJZLNTFA-UHFFFAOYSA-N

Formula

C17H16N6O2

Mass

336.355

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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 - Aniline or substituted anilines - Aminopyridine - Aminopyrimidine - Methylpyridine - Toluene - Monocyclic benzene moiety - Pyridine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Organic oxoazanium - Azacycle - Secondary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxygen compound - Organic zwitterion - Organic salt - 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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