Compound Identification
SMILES
CN1NC=C(N2CCNCC2)\C1=C1/C=C(Br)C(O)=CC1=O
InChIKey
InChIKey=MEVINHVPCNRTAT-ZROIWOOFSA-N
Formula
C14H17BrN4O2
Mass
353.22
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
Piperazines Vinylogous amides Vinylogous acids Pyrazolines Trialkylamines Vinyl bromides Enols Enamines Dialkylamines Bromoalkenes Azacyclic compounds Alkylhydrazines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-quinomethane - 1,4-diazinane - Piperazine - Pyrazoline - Vinylogous acid - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Bromoalkene - Azacycle - Vinyl halide - Vinyl bromide - Haloalkene - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Enamine - Enol - Alkylhydrazine - Amine - Organohalogen compound - Organobromide - Hydrazine derivative - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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