Structure Information
Structure

Compound Identification

SMILES

C[N+]1=CN(C=C1)C1=NC(N2C=C[N+](C)=C2)=C(Cl)C(NC2=CC=C(C=C2)[N+]([O-])=O)=N1

InChIKey

InChIKey=MKPHBYHFFHVZOW-UHFFFAOYSA-N

Formula

C18H17ClN8O2

Mass

412.84

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Secondary amine - Organoheterocyclic compound - Organic oxoazanium - Azacycle - Organonitrogen compound - Organic salt - Organohalogen compound - Organochloride - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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