Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)CSC2=NN=C(CNC(=O)C3=CC(=C(C)C=C3)[N+]([O-])=O)N2C)SC2=C1CCCC2

InChIKey

InChIKey=SXKPMGWLNZYXHV-UHFFFAOYSA-N

Formula

C25H28N6O6S2

Mass

572.66

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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 heteropolycyclic compounds

Substituents

Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Toluamide - P-toluamide - Benzoyl - Aryl thioether - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - N-arylamide - Toluene - Alkylarylthioether - Heteroaromatic compound - Thiophene - 1,2,4-triazole - Azole - Vinylogous amide - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Thioether - Carboxylic acid derivative - Organic oxoazanium - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Organic salt - Aromatic heteropolycyclic 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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