Compound Identification
SMILES
COC(=O)[C@@H]1C2C=CC(=NN2C([C@@H]1C(=O)OC)C(=O)C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=OBBJQOWIFJLIGM-JWFWCLOMSA-N
Formula
C24H20ClN3O7
Mass
497.89
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
Nitrobenzenes Pyrrolidine carboxylic acids Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Nitroaromatic compounds Chlorobenzenes Pyridazines and derivatives Aryl chlorides Dicarboxylic acids and derivatives Methyl esters Hydrazones Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organochlorides Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Benzoyl - Nitroaromatic compound - Gamma-keto acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Keto acid - Pyridazine - Benzenoid - Methyl ester - Pyrrolidine - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Hydrazone - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic 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