Structure Information
Structure

Compound Identification

SMILES

CCN1C(COC2=CC=CC=C2C)=NN=C1SCC(=O)NC1=C(C)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=LMGVBMGEVIWZDG-UHFFFAOYSA-N

Formula

C21H23N5O4S

Mass

441.51

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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 - Nitrotoluene - Phenol ether - N-arylamide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Alkyl aryl ether - Alkylarylthioether - Toluene - Heteroaromatic compound - Azole - 1,2,4-triazole - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - 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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