Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=XHIAHGSOOPISGT-UHFFFAOYSA-N

Formula

C24H19ClN4O5S

Mass

510.95

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