Compound Identification
SMILES
COC1=CC(=CC(OC)=C1Br)C(=O)OCC(=O)NCC1=CC=CO1
InChIKey
InChIKey=IBESXPYDKLEKHK-UHFFFAOYSA-N
Formula
C16H16BrNO6
Mass
398.209
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
4-halobenzoic acids and derivatives Benzoic acid esters Dimethoxybenzenes Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Furans Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzoate ester - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Bromobenzene - Alkyl aryl ether - Halobenzene - Aryl bromide - Aryl halide - Furan - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic 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