Compound Identification
SMILES
Cl.C[N+](C)(C)CCOC(=O)COC1=C(C=CC(F)=C1)N=C([O-])CC1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=RQKNNPUWDNKEQF-UHFFFAOYSA-N
Formula
C21H25ClFN3O6
Mass
469.89
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
Acyl cholines Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Fluorobenzenes Aryl fluorides Tetraalkylammonium salts Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Amines Organofluorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Hydrochlorides Organic zwitterions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Acyl choline - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Choline - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Tetraalkylammonium salt - Quaternary ammonium salt - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidic acid derivative - Monocarboxylic acid or derivatives - Carboximidic acid - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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