Compound Identification
SMILES
OC(=O)C1=C(O)C=CC(NC=C(C#N)C2=NC(=CS2)C2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=REHOSUHBJGNGHR-UHFFFAOYSA-N
Formula
C20H13N3O5S
Mass
407.4
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
Aminobenzoic acids and derivatives
- Level 6 Aminobenzoic acids
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Level 5
Aminobenzoic acids and 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
Aminobenzoic acids and derivatives
Direct Parent
Aminobenzoic acids
Alternative Parents
Salicylic acids Benzodioxoles Benzoic acids p-Aminophenols Aniline and substituted anilines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 2,4-disubstituted thiazoles Vinylogous acids Heteroaromatic compounds Amino acids Secondary amines Oxacyclic compounds Acetals Enamines Carboxylic acids Monocarboxylic acids and derivatives Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzodioxole - Benzoic acid - P-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Azole - Vinylogous acid - Thiazole - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Azacycle - Oxacycle - Secondary amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Acetal - Enamine - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Cyanide - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
External Descriptors
Not available