Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1N2NNN=C2N=C(C2=CC(Cl)=CC=C2)C1=C1N=C2C=CC=CC2=N1
InChIKey
InChIKey=BLGUADDTLBJIKH-UHFFFAOYSA-N
Formula
C25H18ClN7O2
Mass
483.92
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
Benzimidazoles Benzoyl derivatives Chlorobenzenes Hydropyrimidines Aryl chlorides Tetrazolines Methyl esters Ketene acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzimidazole - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Hydropyrimidine - 1,2,5,6-tetrahydropyrimidine - Methyl ester - Tetrazoline - Carboxylic acid ester - Ketene acetal or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - 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