Structure Information
Structure

Compound Identification

SMILES

CN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC(=C(Br)C=C1)[N+]([O-])=O

InChIKey

InChIKey=DUYBKUVWMWZCHH-UHFFFAOYSA-N

Formula

C16H15BrN4O3S

Mass

423.29

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