Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)C(=C)[N+]1=CN=CCC1=O
InChIKey
InChIKey=DOAFFAKOTVPUNT-UHFFFAOYSA-N
Formula
C13H10ClN2O2
Mass
261.68
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 Chlorobenzenes Hydropyrimidines Aryl chlorides Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds N-acylimines Carboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - Alpha-branched alpha,beta-unsaturated-ketone - 5,6-dihydropyrimidine - Pyrimidine - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - N-acylimine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic cation - 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