Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(NC(=O)CCC2=NN=C3S\C(=C\C4=CC(=CC=C4)[N+]([O-])=O)C(=O)N23)C=C1

InChIKey

InChIKey=IPBJDLCUXJYWLD-SFQUDFHCSA-N

Formula

C21H17N5O4S

Mass

435.46

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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 - Anilide - Nitroaromatic compound - Triazolothiazole - N-arylamide - Toluene - Fatty amide - Fatty acyl - Azole - Thiazole - 1,2,4-triazole - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - 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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