Compound Identification
SMILES
BrC1=C\C(C(=O)C=C1)=C1\NC=NC=C1
InChIKey
InChIKey=XWIMKWMSWQNOQK-HJWRWDBZSA-N
Formula
C10H7BrN2O
Mass
251.083
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
Hydropyrimidines Vinylogous amides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Formamidines Enamines Carboximidamides Carboxamidines Bromoalkenes Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - Hydropyrimidine - 1,6-dihydropyrimidine - Vinylogous amide - Amidine - Carboxylic acid amidine - Enamine - Formamidine - Vinyl bromide - Vinyl halide - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Amine - Organic nitrogen compound - 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