Compound Identification
SMILES
CCC(CC)NC1=C(N\C(C(C)=N1)=C1/C=CC(OC(F)(F)F)=CC1=O)OC
InChIKey
InChIKey=JCSQPABKERJWNJ-FYWRMAATSA-N
Formula
C18H22F3N3O3
Mass
385.387
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
Quinomethanes
- Level 8 O-quinomethanes
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Level 7
Quinomethanes
-
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 - Quinomethanes
Direct Parent
O-quinomethanes
Alternative Parents
Aminopyrazines Vinylogous esters Vinylogous amides Trihalomethanes Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Aminopyrazine - Vinylogous amide - Vinylogous ester - Ketimine - Trihalomethane - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Halomethane - Organic oxide - Imine - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Amine - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.
External Descriptors
Not available