Structure Information
Structure

Compound Identification

SMILES

CC(C)N1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(=C(Cl)C=C1)[N+]([O-])=O

InChIKey

InChIKey=HRNDKIVQOUJNTC-UHFFFAOYSA-N

Formula

C18H19ClN4O3S

Mass

406.89

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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 - 3,4,5-trisubstituted-2-aminothiophene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - 2-aminothiophene - Heteroaromatic compound - Thiophene - Vinylogous amide - Organic nitro compound - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic salt - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - 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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