Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(Cl)C=CC(C=NN2CCN(CC2)N=CC2=CC(=C(Cl)C=C2)[N+]([O-])=O)=C1

InChIKey

InChIKey=BUMHDHHMVGTQLX-UHFFFAOYSA-N

Formula

C18H16Cl2N6O4

Mass

451.26

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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 - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Organic nitro compound - C-nitro compound - Azacycle - Hydrazone - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organohalogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen 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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