Compound Identification
SMILES
NCC(O)CNC(=O)C1=CC(Cl)=CC2=C1N=C(N2)C1=CNC2=C1C=C(Br)C=C2
InChIKey
InChIKey=FHBTZMLDIJACQG-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
3-halobenzoic acids and derivatives
Alternative Parents
Indoles Benzimidazoles Substituted pyrroles Aryl bromides Aryl chlorides Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Organochlorides Monoalkylamines Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzimidazole - Indole - Indole or derivatives - Aryl bromide - Aryl chloride - Aryl halide - Substituted pyrrole - Azole - Imidazole - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Primary amine - Amine - Alcohol - Primary aliphatic amine - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen 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