Compound Identification
SMILES
CC1=CC(C=C)=C(NC2=C(F)C(F)=C(F)C=C2C(=O)NOCCO)N=C1
InChIKey
InChIKey=POPNFOOVLBYVBY-UHFFFAOYSA-N
Formula
C17H16F3N3O3
Mass
367.328
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 Benzoyl derivatives Aminopyridines and derivatives Fluorobenzenes Methylpyridines Aryl fluorides Imidolactams Heteroaromatic compounds Vinylogous amides Carboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Amines Organofluorides Primary alcohols Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Aminopyridine - Methylpyridine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Imidolactam - Pyridine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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