Compound Identification
SMILES
OC1(CC(=NN1C(=O)C1=CC=C(Cl)C=C1)C(F)(F)F)C1=CN=CC=C1
InChIKey
InChIKey=WEKATDVPORDMKI-UHFFFAOYSA-N
Formula
C16H11ClF3N3O2
Mass
369.73
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
Benzoyl derivatives Chlorobenzenes Pyridines and derivatives Aryl chlorides Pyrazolines Heteroaromatic compounds N-alkylated hydrazones Alkanolamines Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Pyrazoline - N-alkylated hydrazone - Alkanolamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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