Compound Identification
SMILES
COCCOCCOC1=C\C(NC(N)=N1)=C1/C=C(C=CC1=O)C(=O)C1=C(F)C=C(C)C=C1
InChIKey
InChIKey=RTYXMQNUXIMBFE-ZPHPHTNESA-N
Formula
C23H24FN3O5
Mass
441.459
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
Aryl ketones Benzoyl derivatives Halotoluenes Fluorobenzenes Hydropyrimidines Aryl fluorides Vinylogous amides Vinylogous halides Ketene acetals Guanidines Dialkyl ethers Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halotoluene - Benzoyl - Aryl ketone - O-quinomethane - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Vinylogous amide - Vinylogous halide - Guanidine - Ketene acetal or derivatives - Carboximidamide - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Amine - Organonitrogen compound - Organohalogen compound - Organic nitrogen compound - Aromatic 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