Compound Identification
SMILES
CN1N=C(C)C2=C(Cl)C(=CN=C12)C(=O)N1CCCN1C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=SSGAKQNJJWJAFV-UHFFFAOYSA-N
Formula
C19H17BrClN5O2
Mass
462.73
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
Pyridinecarboxylic acids and derivatives Pyrazolopyridines Benzoyl derivatives Bromobenzenes Aryl bromides Aryl chlorides Vinylogous halides Pyrazolidines Pyrazoles Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Pyridine carboxylic acid or derivatives - Pyrazolopyridine - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Azole - Heteroaromatic compound - Vinylogous halide - Pyrazolidine - Pyrazole - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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