Compound Identification
SMILES
FC1=CC=C(C=C1)C(=O)NCC1=C(N=C2C=CC(Cl)=NN12)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=DQXKLESJEGWHEI-UHFFFAOYSA-N
Formula
C21H14ClFN4O3
Mass
424.82
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
Benzamides Benzodioxoles Benzoyl derivatives Fluorobenzenes Pyridazines and derivatives Aryl chlorides Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzodioxole - Benzoyl - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridazine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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