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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
Benzamides Thiazolecarboxylic acids and derivatives Benzoyl derivatives 2,4,5-trisubstituted thiazoles Iodobenzenes Fatty acid esters N-acyl amines Heteroaromatic compounds Enoate esters Vinyl iodides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Iodoalkenes Carboxylic acid amides Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
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