Compound Identification
SMILES
CC(=S)NC[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)C(=O)NN
InChIKey
InChIKey=MLIGPBGZYHRMMA-VIFPVBQESA-N
Formula
C13H15FN4O3S
Mass
326.35
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
Benzoyl derivatives Fluorobenzenes Aryl fluorides Oxazolidinones Vinylogous halides Thioamides Carbamate esters Carboxylic acid hydrazides Thiocarboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organonitrogen compounds Thiocarbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Oxazolidinone - Oxazolidine - Thioamide - Carbamic acid ester - Vinylogous halide - Carboxylic acid hydrazide - Organoheterocyclic compound - Thiocarboxylic acid amide - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Thiocarbonyl group - 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