Compound Identification
SMILES
COC1=CC(O)=C(C=C1)C(=O)OCC(=O)NCCC#N
InChIKey
InChIKey=VLQVYHPMEXTHRD-UHFFFAOYSA-N
Formula
C13H14N2O5
Mass
278.264
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 Methoxyphenols Salicylic acid and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Secondary carboxylic acid amides Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
O-hydroxybenzoic acid ester - P-methoxybenzoic acid or derivatives - Methoxyphenol - Benzoate ester - Salicylic acid or derivatives - Phenoxy compound - Phenol ether - Anisole - Benzoyl - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Cyanide - 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