Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)COC(=O)C1CN(NC(=O)C2=CC=C(Cl)C=C2)C(=O)C1
InChIKey
InChIKey=WETHEMQCCBYNKC-UHFFFAOYSA-N
Formula
C20H16ClN3O7
Mass
445.81
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
4-halobenzoic acids and derivatives Nitrobenzenes Pyrrolidine carboxylic acids Oxoprolines Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Alpha-acyloxy ketones Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides Carboxylic acid esters Carboxylic acid hydrazides Lactams Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Organic salts Organic zwitterions Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Alpha-acyloxy ketone - Benzenoid - Monocyclic benzene moiety - Aryl halide - 2-pyrrolidone - Pyrrolidone - Aryl chloride - Pyrrolidine - Carboxylic acid ester - Carboxylic acid hydrazide - Organic nitro compound - Lactam - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic zwitterion - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic salt - 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