Compound Identification
SMILES
COC(=O)C1=CC=CC=C1NC=C(C#N)C1=NC2=CC=CC=C2N1C
InChIKey
InChIKey=ULFYJRUNGOLFFY-UHFFFAOYSA-N
Formula
C19H16N4O2
Mass
332.363
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Aminobenzoic acids and derivatives Benzimidazoles Benzoyl derivatives Aniline and substituted anilines N-substituted imidazoles Vinylogous amides Methyl esters Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Benzimidazole - Benzoyl - Aniline or substituted anilines - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Methyl ester - Vinylogous amide - Carboxylic acid ester - Nitrile - Carbonitrile - Enamine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Cyanide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available