Compound Identification
SMILES
OC1=C(C=CC=C1NC1=C(Br)C(=O)NN(CC2=CC=CC=C2)C1=O)C(=O)N1CCOCC1
InChIKey
InChIKey=WRFQURKIUZFQLU-UHFFFAOYSA-N
Formula
C22H21BrN4O5
Mass
501.337
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
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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 Morpholine carboxylic acids and derivatives o-Aminophenols Aniline and substituted anilines Benzoyl derivatives Pyridazinones Aminopyridazines 1-hydroxy-4-unsubstituted benzenoids Primary aromatic amines Aryl bromides Tertiary carboxylic acid amides Vinylogous amides Vinylogous halides Vinylogous acids Heteroaromatic compounds Amino acids and derivatives Lactams Secondary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminosalicylic acid or derivatives - Salicylamide - Aminobenzamide - Aminobenzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Benzamide - O-aminophenol - Benzoyl - Aminophenol - Aniline or substituted anilines - Pyridazinone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aminopyridazine - Pyridazine - Morpholine - Oxazinane - Primary aromatic amine - Aryl halide - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Vinylogous halide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organooxygen compound - Organic oxide - Organonitrogen compound - Organohalogen compound - Organic oxygen compound - Organobromide - Hydrocarbon derivative - Amine - Organic nitrogen 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