Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC(=O)C2=C(Br)C=CC(=C2)[N+]([O-])=O)C2=NSN=C2C=C1

InChIKey

InChIKey=NSLKXVVQRHJFLT-UHFFFAOYSA-N

Formula

C14H9BrN4O3S

Mass

393.22

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Nitrobenzene - 2,1,3-benzothiadiazole - Benzamide - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Thiadiazole - Vinylogous halide - Heteroaromatic compound - Azole - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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