Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=C(NC(SCC2=CC(=CC=C2)[N+]([O-])=O)=C(C#N)C(=O)NCC2=CC=CO2)C=C1

InChIKey

InChIKey=CVVVPGDDJPJHAG-UHFFFAOYSA-N

Formula

C24H22N4O4S

Mass

462.52

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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 - Vinylogous thioester - Furan - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Cyanide - Organic oxide - 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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