Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)O\C(=C\C1=NC2=CC=CC=C2N1CC1=CC=CC=C1Cl)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=FEALOMNWGXHULI-WPWMEQJKSA-N
Formula
C29H19Cl3N2O2
Mass
533.83
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
4-halobenzoic acids and derivatives Benzyloxycarbonyls Benzimidazoles Styrenes Benzoyl derivatives Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Enol esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzyloxycarbonyl - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzimidazole - Benzoyl - Styrene - Chlorobenzene - Halobenzene - Aryl halide - N-substituted imidazole - Aryl chloride - Azole - Heteroaromatic compound - Imidazole - Enol ester - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen 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