Structure Information
Structure

Compound Identification

SMILES

CC(SC1=NC(NN1)=C1C=CC=CC1=O)C(=O)NC1=CC(=C(C)C=C1)[N+]([O-])=O

InChIKey

InChIKey=ADBOGKFGJCCCPJ-UHFFFAOYSA-N

Formula

C18H17N5O4S

Mass

399.43

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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 - Nitrotoluene - Anilide - Nitroaromatic compound - O-quinomethane - Quinomethane - N-arylamide - Toluene - Triazoline - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Ketone - C-nitro compound - Secondary carboxylic acid amide - Cyclic ketone - Organic nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Azacycle - Organonitrogen compound - Organic salt - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen 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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