Compound Identification
SMILES
OC(=O)C1=C(O)C(NC2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=CEIMJEVDASNVRC-UHFFFAOYSA-N
Formula
C13H11NO3
Mass
229.235
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Hydroxybenzoic acid derivatives
-
Level 6
Salicylic acid and derivatives
-
Level 7
Aminosalicylic acids and derivatives
- Level 8 Aminosalicylic acids
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Level 7
Aminosalicylic acids and derivatives
-
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
3-aminosalicylic acids Aminobenzoic acids Salicylic acids Benzoic acids o-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Primary aromatic amines Vinylogous acids Amino acids Carboxylic acids Secondary amines Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-aminosalicylic acid - Aminosalicylic acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - Salicylic acid - Benzoic acid - O-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Primary aromatic amine - Vinylogous acid - Amino acid - Amino acid or derivatives - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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