Compound Identification
SMILES
COC1=CC(O)=C(C=C1)C(=O)OCC(=O)N(CCC#N)C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=BNZYZUFPLZHBIT-UHFFFAOYSA-N
Formula
C21H20N2O7
Mass
412.398
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 Benzo-1,4-dioxanes Methoxyphenols Salicylic acid and derivatives Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Para dioxins Tertiary carboxylic acid amides Vinylogous acids Carboxylic acid esters Nitriles Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - O-hydroxybenzoic acid ester - Methoxyphenol - Salicylic acid or derivatives - Benzoate ester - Benzodioxane - Benzo-1,4-dioxane - Phenoxy compound - Phenol ether - Methoxybenzene - Benzoyl - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Para-dioxin - Vinylogous acid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Cyanide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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