Compound Identification
SMILES
CCNC1=C(C)C(=O)C2=C(N=C(CO)N2C)C1=O
InChIKey
InChIKey=ATVYFMRMPRLGQC-UHFFFAOYSA-N
Formula
C12H15N3O3
Mass
249.27
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 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
Direct Parent
Aryl ketones
Alternative Parents
N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Enamines Dialkylamines Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl ketone - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Secondary aliphatic amine - Enamine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Alcohol - Primary alcohol - Aromatic alcohol - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available