Compound Identification
SMILES
CC(=O)C1=C(O)C(Cl)=C(OCC2=NC(CC3=CC=C(C=C3)C(O)=O)=NO2)C=C1
InChIKey
InChIKey=JMJMVQLSAVEJPQ-UHFFFAOYSA-N
Formula
C19H15ClN2O6
Mass
402.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Acetophenones Benzoic acids Phenoxy compounds Phenol ethers Aryl alkyl ketones O-chlorophenols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides 1,2,4-oxadiazoles Vinylogous acids Heteroaromatic compounds Carboxylic acids Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoic acid - Benzoic acid or derivatives - Acetophenone - Benzoyl - 2-halophenol - 2-chlorophenol - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Phenol - Halobenzene - Chlorobenzene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous acid - 1,2,4-oxadiazole - Oxadiazole - Azole - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available