Compound Identification
SMILES
CCC(NC1=C(NC2=CC=CC(C(=O)N(C)C)=C2O)C(=O)C1=O)C1=CC=C(Br)O1
InChIKey
InChIKey=XSINIJBRURGTOY-UHFFFAOYSA-N
Formula
C20H20BrN3O5
Mass
462.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Hydroxybenzoic acid derivatives
- Level 6 Salicylic acid and derivatives
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Level 5
Hydroxybenzoic acid derivatives
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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
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
Direct Parent
Aminosalicylic acids and derivatives
Alternative Parents
Aminobenzamides Salicylamides Benzamides o-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Secondary alkylarylamines Aryl bromides Primary aromatic amines Heteroaromatic compounds Furans Vinylogous amides Tertiary carboxylic acid amides Vinylogous acids Cyclic ketones Amino acids and derivatives Tertiary amines Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminosalicylic acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Salicylamide - Benzamide - O-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Phenol - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Primary aromatic amine - Vinylogous acid - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Furan - Cyclic ketone - Tertiary amine - Amino acid or derivatives - Carboxamide group - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminosalicylic acids and derivatives. These are salicylic acids or derivatives carrying an amino group on the benzene ring.
External Descriptors
Not available