Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=C(O\N=C(/CN2CCCC2)C2=CC=C(Cl)C=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=XFZSSYLPGSGRJB-CAPFRKAQSA-N

Formula

C18H17ClN4O5

Mass

404.81

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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 - Phenoxy compound - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organonitrogen compound - Organochloride - Organopnictogen compound - Organohalogen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - 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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