Compound Identification
SMILES
NC1=C(C#N)C(=C\C(N1)=C1\C=C(Cl)C=C(Cl)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=SOTBWEPBJWLART-DTQAZKPQSA-N
Formula
C18H10Cl3N3O
Mass
390.65
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
Dihydropyridines Chlorobenzenes Aryl chlorides Vinylogous amides Alpha-chloroketones Ketene acetals Vinyl chlorides Nitriles Chloroalkenes Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Chlorobenzene - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Alpha-haloketone - Alpha-chloroketone - Vinylogous amide - Ketene acetal or derivatives - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Carbonitrile - Nitrile - Vinyl halide - Vinyl chloride - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen 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