Structure Information
Structure

Compound Identification

SMILES

CN1C(CNC2=CC=C(Cl)C=C2)=NN=C1SCC(=O)NC1=C(C)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=HLCMVWQKYQYFTJ-UHFFFAOYSA-N

Formula

C19H19ClN6O3S

Mass

446.91

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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 - Anilide - Nitrotoluene - N-arylamide - Aniline or substituted anilines - Phenylalkylamine - Aryl thioether - Nitroaromatic compound - Aralkylamine - Alkylarylthioether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Toluene - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - 1,2,4-triazole - Organic nitro compound - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - 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 - Secondary amine - Thioether - Sulfenyl compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Amine - Hydrocarbon derivative - 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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