Compound Identification
SMILES
OC(=O)C1=C(O)C(=O)N=C(N1)C1=CSC=C1NC(=O)C1=CC=CC=C1Cl
InChIKey
InChIKey=MWZCVWWTPFBOKC-UHFFFAOYSA-N
Formula
C16H10ClN3O5S
Mass
391.78
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzamides Hydropyrimidine carboxylic acids and derivatives Pyrimidinecarboxylic acids Benzoyl derivatives Chlorobenzenes Hydroxypyrimidines Pyrimidones Aryl chlorides Vinylogous acids Heteroaromatic compounds Vinylogous amides Thiophenes Vinylogous halides Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Hydropyrimidine carboxylic acid derivative - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Hydroxypyrimidine - Pyrimidone - Pyrimidine - Aryl halide - Aryl chloride - Hydropyrimidine - Vinylogous halide - Heteroaromatic compound - Thiophene - Vinylogous amide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available