Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)C(=CC2=CC=C(O2)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)C#N)SC2=C1CCCC2

InChIKey

InChIKey=LSKRUSWWWOKQFT-UHFFFAOYSA-N

Formula

C25H20ClN3O6S

Mass

525.96

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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 heteropolycyclic compounds

Substituents

Nitrobenzene - N-arylamide - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Furan - Heteroaromatic compound - Vinylogous amide - Thiophene - Organic nitro compound - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organohalogen compound - Cyanide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteropolycyclic 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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