Compound Identification
SMILES
O=C(C#CC1=CNC(=O)NC1=O)C1=CC=CC=C1
InChIKey
InChIKey=UBLTWZQWEKQURJ-UHFFFAOYSA-N
Formula
C13H8N2O3
Mass
240.218
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoyl derivatives
Alternative Parents
Aryl ketones Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Alpha,beta-unsaturated ketones Ureas Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoyl - Aryl ketone - Pyrimidone - Hydropyrimidine - Pyrimidine - Alpha,beta-unsaturated ketone - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Ketone - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors
Not available