Compound Identification
SMILES
CC(C)(O)C1=C(F)C2=NC=C(N2C=C1)C1=NC(=NC=C1)C1=C(C=C(F)C=C1)C(N)=O
InChIKey
InChIKey=ZMOZGLVFHZTMHQ-UHFFFAOYSA-N
Formula
C21H17F2N5O2
Mass
409.397
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzamides Imidazo[1,2-a]pyridines Imidazopyridines Benzoyl derivatives Fluorobenzenes N-substituted imidazoles Pyridines and derivatives Pyrimidines and pyrimidine derivatives Aryl fluorides Heteroaromatic compounds Tertiary alcohols Primary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Imidazopyridine - Benzamide - Imidazo[1,2-a]pyridine - Benzoyl - Fluorobenzene - Halobenzene - N-substituted imidazole - Aryl fluoride - Pyrimidine - Pyridine - Aryl halide - Heteroaromatic compound - Tertiary alcohol - Azole - Imidazole - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Aromatic alcohol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available