Compound Identification
SMILES
OC[C@@H](O)CONC(=O)C1=CC(F)=C(F)C(F)=C1NC1=C(Cl)C=C(Cl)C=N1
InChIKey
InChIKey=JEXGCLLEJVIUAU-SSDOTTSWSA-N
Formula
C15H12Cl2F3N3O4
Mass
426.17
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
4-halobenzoic acids and derivatives
Alternative Parents
3-halobenzoic acids and derivatives Aniline and substituted anilines Polyhalopyridines Benzoyl derivatives Aminopyridines and derivatives Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Vinylogous amides Heteroaromatic compounds Secondary alcohols Amino acids and derivatives 1,2-diols Azacyclic compounds Secondary amines Organic oxides Organochlorides Organofluorides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Polyhalopyridine - Aniline or substituted anilines - Aminopyridine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Amino acid or derivatives - 1,2-diol - Secondary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Primary alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available