Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(N=C(N1)SCC1=CC=CC=C1)C1=C(O)C=C(O)C=C1)C(=O)NC1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=QZKXCRWQSNLJQJ-UHFFFAOYSA-N

Formula

C25H22N4O5S

Mass

490.53

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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 - Anilide - Resorcinol - N-arylamide - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Hydropyrimidine - Vinylogous amide - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Isothiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Carboximidamide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organic oxide - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - 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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