Compound Identification
SMILES
CN(CC1=CC=CC=C1)C(=O)COC(=O)C1=C(O)C=C(Cl)C=C1
InChIKey
InChIKey=QIPCFSBJAIGWAM-UHFFFAOYSA-N
Formula
C17H16ClNO4
Mass
333.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzoic acid esters
- Level 6 o-Hydroxybenzoic acid esters
-
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
Benzoic acid esters
Direct Parent
o-Hydroxybenzoic acid esters
Alternative Parents
4-halobenzoic acids and derivatives Salicylic acid and derivatives Benzoyl derivatives M-chlorophenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Vinylogous acids Tertiary carboxylic acid amides Carboxylic acid esters Amino acids and derivatives Tertiary amines Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Salicylic acid or derivatives - 3-halophenol - 3-chlorophenol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Aryl chloride - Aryl halide - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Amine - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
External Descriptors
Not available