Compound Identification
SMILES
CC1=C(Cl)C(C)=C(C2=NON3N(C(=O)C4=CC=C(Br)C=C4)C4=CC=CC=C4N23)C(C)=C1Cl
InChIKey
InChIKey=SGBVPEYRAOFVNI-UHFFFAOYSA-N
Formula
C23H17BrCl2N4O2
Mass
532.22
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
Benzotriazoles Dichlorobenzenes Benzoyl derivatives Bromobenzenes Aryl bromides Aryl chlorides Imidolactams Triazoles Oxatriazoles Amidrazones Oxacyclic compounds Amidines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzotriazole - Benzoyl - 1,3-dichlorobenzene - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Imidolactam - Triazole - Oxatriazole - Carboxylic acid amidrazone - Amidine - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organochloride - 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