Compound Identification
SMILES
COC(=O)COC1=C(Br)C=C(C=NNC(=O)C2=C(F)C=C(C=C2)C#N)C=C1
InChIKey
InChIKey=JDMMAORQQSSYMP-UHFFFAOYSA-N
Formula
C18H13BrFN3O4
Mass
434.221
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
2-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers Benzonitriles Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Bromobenzenes Aryl bromides Aryl fluorides Vinylogous halides Methyl esters Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Benzonitrile - Benzoyl - Phenol ether - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl halide - Aryl bromide - Aryl fluoride - Methyl ester - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Ether - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Organobromide - Organooxygen compound - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Aromatic homomonocyclic 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