Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=C(C(NC(=S)N1)C1=CC=C(O)C=C1)C(=O)NC1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=XGRKTEGNYWKTCZ-UHFFFAOYSA-N

Formula

C20H20N4O4S

Mass

412.46

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