Compound Identification
SMILES
COC1=C(OC)C(OC)=C(NC(=O)CSC2=CC=C(Br)C=C2)C(=C1)C(O)=O
InChIKey
InChIKey=ALDVVNGWSUUDHM-UHFFFAOYSA-N
Formula
C18H18BrNO6S
Mass
456.31
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
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Gallic acid and derivatives M-methoxybenzoic acids and derivatives P-methoxybenzoic acids and derivatives Anilides Benzoic acids Methoxyanilines Thiophenol ethers Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes N-arylamides Bromobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl bromides Vinylogous amides Secondary carboxylic acid amides Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Methoxyaniline - Anilide - Benzoic acid - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Benzoyl - N-arylamide - Thiophenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available