Compound Identification
SMILES
CCS(=O)(=O)OC1=CC=CC(CN(CCOC)C(=O)C2=CC=C(Br)C=C2)=C1
InChIKey
InChIKey=NQDPSNVARQSMAU-UHFFFAOYSA-N
Formula
C19H22BrNO5S
Mass
456.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Phenoxy compounds Benzoyl derivatives Bromobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl bromides Tertiary carboxylic acid amides Sulfonyls Dialkyl ethers Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid ester - Sulfonic acid ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available