Compound Identification
SMILES
COC(=O)C1=CC=C(COC(CN)C2=CC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=MXIMZQHVFVEICS-UHFFFAOYSA-N
Formula
C17H18ClNO3
Mass
319.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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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
Benzylethers Benzoyl derivatives Chlorobenzenes Aralkylamines Aryl chlorides Methyl esters Amino acids and derivatives Dialkyl ethers Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzylether - Benzoyl - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organohalogen compound - Organochloride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic 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