Compound Identification
SMILES
COC1=CC(C(=O)OCC(=O)NCC2=CC=CC=C2F)=C(Br)C=C1
InChIKey
InChIKey=JIUJGGBYYSXEHB-UHFFFAOYSA-N
Formula
C17H15BrFNO4
Mass
396.212
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
M-methoxybenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzoic acid esters Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl fluorides Aryl bromides Vinylogous halides Secondary carboxylic acid amides Carboxylic acid esters Carbonyl compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenoxy compound - Methoxybenzene - Benzoyl - Phenol ether - Anisole - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Aryl bromide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organohalogen compound - Organobromide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available