Structure Information
Structure

Compound Identification

SMILES

CC1CCC2=C(C1)SC(NC(=O)C1=CC=C(O1)C1=CC=CC=C1[N+]([O-])=O)=C2C(N)=O

InChIKey

InChIKey=NISZZIOXLIVVSI-UHFFFAOYSA-N

Formula

C21H19N3O5S

Mass

425.46

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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

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