Compound Identification
SMILES
C[C@H]1[C@@H](NC(=O)CS)OC(=O)N1C1=CC(F)=C(C=C1)C(N)=O
InChIKey
InChIKey=WZAXNTFYMXECOM-QTTZVWFDSA-N
Formula
C13H14FN3O4S
Mass
327.33
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 Benzoyl derivatives Fluorobenzenes Oxazolidinones Aryl fluorides Vinylogous halides Carbamate esters Secondary carboxylic acid amides Primary carboxylic acid amides Alkylthiols Oxacyclic compounds Azacyclic compounds Organofluorides Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Oxazolidinone - Oxazolidine - Vinylogous halide - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Azacycle - Oxacycle - Carboxylic acid derivative - Alkylthiol - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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