Compound Identification
SMILES
CC1=CC(F)=C(NC2=C\C(C(=O)C=C2)=C2/NC(N)=C(C=C2)C(N)=O)C=C1
InChIKey
InChIKey=XAZIYYGSZIXIJH-FYWRMAATSA-N
Formula
C19H17FN4O2
Mass
352.369
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
-
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
Aniline and substituted anilines Aminotoluenes Fluorobenzenes Dihydropyridines Aryl fluorides Vinylogous amides Primary carboxylic acid amides Ketene acetals Enamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminotoluene - Aniline or substituted anilines - O-quinomethane - Dihydropyridine - Toluene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyridine - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Ketene acetal or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Enamine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen 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