Compound Identification
SMILES
COC1=CC=CC(=C1)C(=O)COC(=O)C1CN(NC(=O)C2=CC=CC=C2Cl)C(=O)C1
InChIKey
InChIKey=AOBGLAIZEXOVDW-UHFFFAOYSA-N
Formula
C21H19ClN2O6
Mass
430.84
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
2-halobenzoic acids and derivatives Aryl alkyl ketones Benzoyl derivatives Anisoles Methoxybenzenes Oxoprolines Phenoxy compounds Pyrrolidine carboxylic acids Alpha-acyloxy ketones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Pyrrolidine-2-ones Vinylogous halides Lactams Carboxylic acid esters Carboxylic acid hydrazides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Oxoproline - Methoxybenzene - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aryl alkyl ketone - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alpha-acyloxy ketone - Aryl chloride - Benzenoid - 2-pyrrolidone - Pyrrolidone - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Pyrrolidine - Lactam - Carboxylic acid hydrazide - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen 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