Compound Identification
SMILES
CCOC1=CC=C(C=C1)C1=CC(NC(=O)C2=CC(Cl)=CC=C2)=C(S1)C(=O)OC
InChIKey
InChIKey=ZOBWFSWXVFBYHR-UHFFFAOYSA-N
Formula
C21H18ClNO4S
Mass
415.89
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 2,3,5-trisubstituted thiophenes Benzoyl derivatives Phenol ethers Phenoxy compounds Thiophene carboxylic acids and derivatives Chlorobenzenes Alkyl aryl ethers Aryl chlorides Methyl esters Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - 2,3,5-trisubstituted thiophene - Phenol ether - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - 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