Structure Information
Structure

Compound Identification

SMILES

CC(C)OC(=O)C1=C(NC(=O)C2=CC=C(C=C2)[N+]([O-])=O)SC=C1C1=CC=CC=C1Cl

InChIKey

InChIKey=ILPWNNGHXXKZCO-UHFFFAOYSA-N

Formula

C21H17ClN2O5S

Mass

444.89

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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

Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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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