Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)N1N=C(C[C@@H]1C1=NC2=CC=CC=C2N1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=YLTJKQGLEDYUMV-OAQYLSRUSA-N
Formula
C23H16BrClN4O
Mass
479.76
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
Benzimidazoles Benzoyl derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Pyrazolines Heteroaromatic compounds Imidazoles Carboxylic acids and derivatives Azacyclic compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzimidazole - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Pyrazoline - Imidazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organobromide - 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