Structure Information
Structure

Compound Identification

SMILES

CC(C)OC(=O)C1=C(NC(=O)C2=CC=C(O2)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)SC(C)=C1C

InChIKey

InChIKey=DWEVERFEILKAHD-UHFFFAOYSA-N

Formula

C21H19ClN2O6S

Mass

462.9

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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 - 2-heteroaryl carboxamide - Furoic acid or derivatives - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Thiophene - Vinylogous amide - Heteroaromatic compound - Furan - C-nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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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