Compound Identification
SMILES
CC1=C(C)C=C(OCC(=O)OCC(=O)C2=CC=CN2)C=C1
InChIKey
InChIKey=BFZTVAUDEHXAEA-UHFFFAOYSA-N
Formula
C16H17NO4
Mass
287.315
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
o-Xylenes Phenoxy compounds Phenol ethers Aryl alkyl ketones Alpha-acyloxy ketones Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Phenoxy compound - Phenol ether - O-xylene - Xylene - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Alpha-acyloxy ketone - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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