Compound Identification
SMILES
CC1(C)CC(=O)C2=C(C1)OC(C1=CC=C(I)O1)C(C#N)=C2N
InChIKey
InChIKey=AVSYGQHCWIAVPO-UHFFFAOYSA-N
Formula
C16H15IN2O3
Mass
410.211
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic 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 - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Pyrans Aryl iodides Vinylogous esters Heteroaromatic compounds Furans Oxacyclic compounds Nitriles Enamines Organopnictogen compounds Organoiodides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclohexenone - Aryl halide - Aryl iodide - Pyran - Furan - Heteroaromatic compound - Vinylogous ester - Enamine - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available