Compound Identification
SMILES
CC1=C(Cl)C=C(C=C1)C(=O)NC1=C(SC=C1)C1=NC(=O)C(O)=C(N1)C(O)=O
InChIKey
InChIKey=WBAXFLCBNHZMCE-UHFFFAOYSA-N
Formula
C17H12ClN3O5S
Mass
405.81
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
p-Toluamides Benzamides Hydropyrimidine carboxylic acids and derivatives Pyrimidinecarboxylic acids Benzoyl derivatives Chlorobenzenes Hydroxypyrimidines Pyrimidones Aryl chlorides Thiophenes Heteroaromatic compounds Vinylogous acids Vinylogous amides Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzamide - P-toluamide - Toluamide - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Benzoyl - Chlorobenzene - Hydroxypyrimidine - Halobenzene - Pyrimidone - Toluene - Aryl chloride - Aryl halide - Hydropyrimidine - Pyrimidine - Vinylogous acid - Thiophene - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen 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