Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)C(C)SC2=NN=C(CNC(=O)C3=CC=C(C=C3)[N+]([O-])=O)N2CCC2=CC=CC=C2)SC2=C1CCC2

InChIKey

InChIKey=REOPGKGRTILSRF-UHFFFAOYSA-N

Formula

C31H32N6O6S2

Mass

648.75

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