Compound Identification
SMILES
CC1=C(C#N)C2=NC3=CC=CC=C3N2C(=O)C1=CNC1=CC=CC=C1C([O-])=O
InChIKey
InChIKey=NNBYJCMSUDXSNN-UHFFFAOYSA-M
Formula
C21H13N4O3
Mass
369.361
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Aminobenzoic acids and derivatives
- Level 6 Aminobenzoic acids
-
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
Benzimidazoles Benzoic acids Imidazo[1,2-a]pyridines Aniline and substituted anilines Benzoyl derivatives Methylpyridines Pyridinones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Carboxylic acid salts Nitriles Carboxylic acids Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Amines Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid - Benzimidazole - Imidazo[1,2-a]pyridine - Benzoic acid - Benzoyl - Aniline or substituted anilines - Methylpyridine - Pyridinone - N-substituted imidazole - Pyridine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Carboxylic acid salt - Lactam - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organooxygen compound - Organic anion - 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