Compound Identification
SMILES
CCOC(=O)COC1=C(I)C=C(C=C(C#N)C2=NC3=C(N2)C=C(C)C=C3)C=C1
InChIKey
InChIKey=HYUCXBYUJKNLSF-UHFFFAOYSA-N
Formula
C21H18IN3O3
Mass
487.297
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
Benzimidazoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Iodobenzenes Aryl iodides Imidazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Benzimidazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organoiodide - 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