Compound Identification
SMILES
[Br-].COC1=CC(N)=C(Cl)C=C1C(=O)OCC[N+]12CCC(CC1)CC2
InChIKey
InChIKey=SWPBPOUEWMYAHO-UHFFFAOYSA-N
Formula
C17H24BrClN2O3
Mass
419.74
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
O-methoxybenzoic acids and derivatives
Alternative Parents
Benzoic acid esters 3-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Methoxyanilines Aminophenyl ethers Benzoyl derivatives Anisoles Quinuclidines Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Piperidines Tetraalkylammonium salts Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic bromide salts Organic oxides Organic zwitterions Organochlorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-methoxybenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Methoxyaniline - Phenol ether - Quinuclidine - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Piperidine - Aryl halide - Aryl chloride - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic oxide - Primary amine - Organic zwitterion - Organic oxygen compound - Organic salt - Amine - Organic bromide salt - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available