Compound Identification
SMILES
CC(C)CCOC(=O)COC1=C(NC(=S)CC2=CC(=CC=C2)[N+]([O-])=O)C=CC(F)=C1
InChIKey
InChIKey=OHGPNIJNCVYSOG-UHFFFAOYSA-N
Formula
C21H23FN2O5S
Mass
434.48
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
Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Fluorobenzenes Aryl fluorides Thioamides Carboxylic acid esters Thiocarboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Organofluorides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic zwitterions Organic oxides Thiocarbonyl compounds Organic salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Thioamide - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Thiocarboxylic acid amide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Thiocarbonyl group - 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