Compound Identification
SMILES
CC1=C(N2CC2)C(=O)C2=C(N3CCC(O)C3=N2)C1=O
InChIKey
InChIKey=CUWRQGLHMSVVKC-UHFFFAOYSA-N
Formula
C13H13N3O3
Mass
259.265
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 N-vinylaziridines Heteroaromatic compounds Trialkylamines Secondary alcohols Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl ketone - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - N-vinylaziridine - Vinylaziridine - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Enamine - Aziridine - Azacycle - Organoheterocyclic compound - Amine - Alcohol - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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