Compound Identification
SMILES
OC(=O)COC1=C(NC(=O)CC2=C(F)C=C(Br)C=C2)C=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=WCLPZDJOPTVPTB-UHFFFAOYSA-N
Formula
C16H12BrFN2O6
Mass
427.182
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
Nitrophenyl ethers Phenylacetamides Anilides Phenoxy compounds Phenol ethers N-arylamides Nitroaromatic compounds Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organobromides Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Organic salts Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenyl ether - Phenoxyacetate - Phenylacetamide - Nitrobenzene - Anilide - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Alkyl aryl ether - Halobenzene - Fluorobenzene - Bromobenzene - Aryl halide - Aryl bromide - Aryl fluoride - C-nitro compound - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Organic cation - 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