Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(NN=C2C=CC(=O)C(C=C(C#N)C(=O)NC3=CC=C(Cl)C=C3)=C2)C=C1

InChIKey

InChIKey=UYBGVXXTNMSQGF-UHFFFAOYSA-N

Formula

C22H14ClN5O4

Mass

447.84

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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 homomonocyclic compounds

Substituents

Nitrobenzene - Anilide - Nitroaromatic compound - Phenylhydrazine - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxamide group - C-nitro compound - Ketone - Secondary carboxylic acid amide - Organic nitro compound - Cyclic ketone - Nitrile - Carboxylic acid derivative - Carbonitrile - Organic oxoazanium - Hydrazone - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic 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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