Compound Identification
SMILES
NC1=C(C#N)C(=C\C(N1)=C1\C=CC=CC1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=FPSYHHHGAATUBJ-DTQAZKPQSA-N
Formula
C18H12BrN3O
Mass
366.218
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
Dihydropyridines Bromobenzenes Aryl bromides Vinylogous amides Ketene acetals Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - Bromobenzene - Dihydropyridine - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Hydropyridine - Vinylogous amide - Ketene acetal or derivatives - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Cyanide - Organic nitrogen compound - Organohalogen compound - Amine - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - 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