Compound Identification
SMILES
BrC1=CC=CC(=C1)C(=O)N1CCN(CC1)C(=O)C(=O)C1=CNC2=CC=CC=C12
InChIKey
InChIKey=ZTPOIAUGOSIZGJ-UHFFFAOYSA-N
Formula
C21H18BrN3O3
Mass
440.297
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
Benzamides Indoles Aryl ketones Benzoyl derivatives Bromobenzenes Aryl bromides Piperazines Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Indole or derivatives - Indole - Benzamide - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Piperazine - Substituted pyrrole - 1,4-diazinane - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Ketone - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen 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