Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)C(=CNC1=NC(C)=CC(Cl)=N1)C#N
InChIKey
InChIKey=UEOIJTCGBKFRIR-UHFFFAOYSA-N
Formula
C16H13ClN4O2
Mass
328.76
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
Anisoles Aryl ketones Methoxybenzenes Phenoxy compounds Halopyrimidines Alkyl aryl ethers Aminopyrimidines and derivatives Alpha-branched alpha,beta-unsaturated ketones Aryl chlorides Heteroaromatic compounds Enones Acryloyl compounds Vinylogous amides Nitriles Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - Phenol ether - Aryl ketone - Benzoyl - Methoxybenzene - Halopyrimidine - Alkyl aryl ether - Aminopyrimidine - Aryl chloride - Pyrimidine - Alpha-branched alpha,beta-unsaturated-ketone - Aryl halide - Heteroaromatic compound - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Vinylogous amide - Ketone - Azacycle - Organoheterocyclic compound - Enamine - Ether - Carbonitrile - Nitrile - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen 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