Compound Identification
SMILES
CC1=NC(NC2=CC=CC=C2)=C(N1CC(=O)C1=CC=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=NDGQRGXRMHTARM-UHFFFAOYSA-N
Formula
C18H15ClN4O3
Mass
370.79
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
1,2,4,5-tetrasubstituted imidazoles Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Nitroimidazoles Nitroaromatic compounds Chlorobenzenes Aminoimidazoles Aryl chlorides N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1,2,4,5-tetrasubstituted imidazole - Nitroaromatic compound - Nitroimidazole - Benzoyl - Aryl alkyl ketone - Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aminoimidazole - N-substituted imidazole - Benzenoid - Aryl chloride - Aryl halide - Imidolactam - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - C-nitro compound - Organic nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Organic oxide - Organic salt - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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