Compound Identification
SMILES
CC1=NC(=C(N1CC(=O)C1=CC=C(Cl)C=C1)N1CCOCC1)[N+]([O-])=O
InChIKey
InChIKey=OMHFLWFKNPNWKP-UHFFFAOYSA-N
Formula
C16H17ClN4O4
Mass
364.79
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 Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Nitroimidazoles Chlorobenzenes Aminoimidazoles Aryl chlorides Imidolactams Morpholines N-substituted imidazoles Heteroaromatic compounds Dialkyl ethers Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1,2,4,5-tetrasubstituted imidazole - Nitroaromatic compound - Nitroimidazole - Aryl alkyl ketone - Benzoyl - Dialkylarylamine - Halobenzene - Chlorobenzene - Aminoimidazole - N-substituted imidazole - Oxazinane - Morpholine - Benzenoid - Monocyclic benzene moiety - Imidolactam - Aryl halide - Aryl chloride - Imidazole - Azole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organic zwitterion - Organonitrogen compound - Organochloride - Organic salt - Organohalogen compound - 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