Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(C)N=C(NC(=O)C2=CC(I)=CC=C2)S1

InChIKey

InChIKey=DCUFANCGARCNOP-UHFFFAOYSA-N

Formula

C14H13IN2O3S

Mass

416.23

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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

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Thiazolecarboxylic acid or derivatives - Benzoyl - 2,4,5-trisubstituted 1,3-thiazole - Iodobenzene - Halobenzene - Fatty acid ester - Fatty acyl - N-acyl-amine - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Azole - Carboxylic acid ester - Carboxamide group - Azacycle - Iodoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl iodide - Vinyl halide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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