Structure Information
Structure

Compound Identification

SMILES

CCN1C(COC2=C(C)C=C(C)C=C2)=NN=C1SCC(=O)NC1=C(C)C=CC(=C1)[N+]([O-])=O

InChIKey

InChIKey=AHQLELPCXOKQSK-UHFFFAOYSA-N

Formula

C22H25N5O4S

Mass

455.53

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