Compound Identification
SMILES
OC(=O)C1=C(O)C=C(N\C=C2\C=C(CC3=CC=CC=C3)C=C(Br)C2=O)C=C1
InChIKey
InChIKey=UPNMLXCREDHTFP-QINSGFPZSA-N
Formula
C21H16BrNO4
Mass
426.266
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
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Level 6
Salicylic acid and derivatives
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Level 7
Aminosalicylic acids and derivatives
- Level 8 Aminosalicylic acids
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Level 7
Aminosalicylic acids and derivatives
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Level 6
Salicylic acid and derivatives
-
Level 5
Hydroxybenzoic acid 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
Hydroxybenzoic acid derivatives - Salicylic acid and derivatives - Aminosalicylic acids and derivatives
Direct Parent
Aminosalicylic acids
Alternative Parents
4-aminosalicylic acids Salicylic acids Aminobenzoic acids Benzoic acids m-Aminophenols O-quinomethanes Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous amides Vinylogous acids Alpha-haloketones Vinyl bromides Allylamines Enamines Bromoalkenes Carboxylic acids Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-aminosalicylic acid - Aminosalicylic acid - Salicylic acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Quinomethane - M-aminophenol - O-quinomethane - Aminophenol - Aniline or substituted anilines - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alpha-haloketone - Vinylogous acid - Vinylogous amide - Ketone - Cyclic ketone - Allylamine - Bromoalkene - Haloalkene - Carboxylic acid derivative - Carboxylic acid - Enamine - Vinyl halide - Vinyl bromide - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminosalicylic acids. These are salicylic acids carrying an amino group on the benzene ring.
External Descriptors
Not available