Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)N=C(NC1=C(C(NNC(=O)C3=C(Cl)C=C(Cl)C=C3)=NC=N1)[N+]([O-])=O)S2

InChIKey

InChIKey=NSDCWHXVIZJUNJ-UHFFFAOYSA-N

Formula

C19H13Cl2N7O4S

Mass

506.32

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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

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 1,3-benzothiazole - Nitroaromatic compound - Anisole - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous halide - Thiazole - Azole - Carboxylic acid hydrazide - Organic nitro compound - Amino acid or derivatives - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Ether - Azacycle - Secondary amine - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic salt - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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