Compound Identification
SMILES
[Na+].CCC1=C(C(=O)C(N)=O)C2=C(C=CC=C2OCC([O-])=O)N1CC1=CC=CC=C1
InChIKey
InChIKey=XZZUHXILQXLTGV-UHFFFAOYSA-M
Formula
C21H19N2NaO5
Mass
402.382
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
N-alkylindoles Indoles Phenol ethers Aryl ketones Alkyl aryl ethers Substituted pyrroles Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Carboxylic acid salts Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic sodium salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - N-alkylindole - Indole - Indole or derivatives - Phenol ether - Aryl ketone - Alkyl aryl ether - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Carboxamide group - Carboxylic acid salt - Ketone - Primary carboxylic acid amide - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic salt - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic sodium salt - Organic cation - Aromatic heteropolycyclic 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