Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)CN1C2=NC3=CC=CC=C3N2N=C(CCC([O-])=O)C1=O
InChIKey
InChIKey=AEWZLQMPHQVZPN-UHFFFAOYSA-M
Formula
C22H19N4O6
Mass
435.417
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
Dimethoxybenzenes Benzimidazoles Imidazo[1,2-a][1,2,4]triazines Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers 1,2,4-triazines N-substituted imidazoles Heteroaromatic compounds Lactams Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - O-dimethoxybenzene - Dimethoxybenzene - Imidazo[1,2-a][1,2,4]triazine - Benzimidazole - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Triazine - Benzenoid - 1,2,4-triazine - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid salt - Lactam - Ether - Carboxylic acid - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic anion - 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