Compound Identification
SMILES
CC1=C(F)C=CC(CNC(=O)C2=NC=NC(=C2)C(=O)N[C@H]2[C@@H](CC3=C2C=CC(Br)=C3)OC(=O)C2=CC=CC=C2)=C1
InChIKey
InChIKey=BZOQBQBSYXTENC-KAYWLYCHSA-N
Formula
C30H24BrFN4O4
Mass
603.448
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Indanes Pyrimidinecarboxylic acids and derivatives 2-heteroaryl carboxamides Benzoyl derivatives Toluenes Fluorobenzenes Aryl bromides Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Pyrimidine-6-carboxylic acid or derivatives - Indane - 2-heteroaryl carboxamide - Benzoyl - Toluene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available