Compound Identification
SMILES
COC1=CC(O)=C(C=C1)C(=O)O[C@H](C)C#N
InChIKey
InChIKey=YDIPDBZQZBYTMX-SSDOTTSWSA-N
Formula
C11H11NO4
Mass
221.212
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
P-methoxybenzoic acids and derivatives
Alternative Parents
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Methoxyphenols Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Nitriles Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - P-methoxybenzoic acid or derivatives - Benzoate ester - Salicylic acid or derivatives - Methoxyphenol - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Cyanide - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available