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Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=NN(C(=O)C2=C(NC(=O)C3=C(C)C(=CC=C3)[N+]([O-])=O)SC=C12)C1=CC=C(F)C=C1

InChIKey

InChIKey=MVNMXWRHOCBTLU-UHFFFAOYSA-N

Formula

C23H17FN4O6S

Mass

496.47

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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

Thienopyridazine - Thieno[3,4-d]pyridazine - Benzamide - O-toluamide - Toluamide - Benzoic acid or derivatives - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Toluene - Pyridazinone - Fluorobenzene - Halobenzene - Pyridazine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organic zwitterion - Organofluoride - Organonitrogen compound - 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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