Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1CC(=NN1C(=O)CSC1=NN=C(CNC(=O)C2=C(C)C(=CC=C2)[N+]([O-])=O)N1C)C1=CC=C(OC)C=C1

InChIKey

InChIKey=METXIQAIYZXZML-UHFFFAOYSA-N

Formula

C31H31N7O6S

Mass

629.69

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