Compound Identification
SMILES
CC1=[N+](CC(=O)NNC=C2C=C(Br)C=CC2=O)C=CN1
InChIKey
InChIKey=MSOBYXJANCHCQE-UHFFFAOYSA-O
Formula
C13H14BrN4O2
Mass
338.184
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
N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carboxylic acid hydrazides Vinyl bromides Bromoalkenes Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-quinomethane - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Bromoalkene - Vinyl bromide - Vinyl halide - Haloalkene - Organoheterocyclic compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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