Compound Identification
SMILES
O[N+]([O-])=O.CC(CN1C=CC=N1)C(=O)C1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=NGBBFINJIKDLPN-UHFFFAOYSA-N
Formula
C20H20ClN3O5
Mass
417.85
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
-
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
Phenylpropanes Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Pyrazoles Heteroaromatic compounds Organic nitrates Organic nitro compounds Organic nitric acids Azacyclic compounds Organonitrogen compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Benzoyl - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Organic nitrate - Pyrazole - Heteroaromatic compound - Azole - Organic nitric acid or derivatives - Organic nitro compound - Organic nitric acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic nitrogen compound - Organohalogen compound - Organic zwitterion - Organonitrogen compound - Organochloride - 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