Compound Identification
SMILES
CCOC(=O)C1=C(Cl)C=CC(N\C=C2/C(C)=NN(C2=O)C2=CC(C)=C(C)C=C2)=C1
InChIKey
InChIKey=GDLVUUREYRZTTI-XDHOZWIPSA-N
Formula
C22H22ClN3O3
Mass
411.89
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
2-halobenzoic acids and derivatives Aminobenzoic acids and derivatives o-Xylenes Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Pyrazolones Aryl chlorides Vinylogous halides Vinylogous amides Carboxylic acid esters Azacyclic compounds Allylamines Enamines Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Aniline or substituted anilines - Benzoyl - Xylene - O-xylene - Halobenzene - Chlorobenzene - Aryl halide - Pyrazolinone - Aryl chloride - Vinylogous amide - Vinylogous halide - Pyrazoline - Carboxylic acid ester - Allylamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Enamine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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