Compound Identification
SMILES
COC(=O)COC1=CC=C(C=C1)C(O)CNC(=O)C1=NC=C(C=C1)C#N
InChIKey
InChIKey=IOYYIHGHRAXHBC-UHFFFAOYSA-N
Formula
C18H17N3O5
Mass
355.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Pyridinecarboxylic acids and derivatives 2-heteroaryl carboxamides 3-pyridinecarbonitriles Phenoxy compounds Phenol ethers Alkyl aryl ethers Heteroaromatic compounds Methyl esters Secondary alcohols Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Nitriles Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - 3-pyridinecarbonitrile - Alkyl aryl ether - Pyridine - Methyl ester - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available