Compound Identification
SMILES
CC1=C(C=CO1)C(=O)NN\C=C1/C=C(Br)C=C(C1=O)[N+]([O-])=O
InChIKey
InChIKey=XDWGPQLSNWVQEY-SOFGYWHQSA-N
Formula
C13H10BrN3O5
Mass
368.143
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
Furan-3-carboxylic acid and derivatives Vinylogous amides Heteroaromatic compounds C-nitro compounds Carboxylic acid hydrazides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Bromoalkenes Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organobromides Organonitrogen compounds Organopnictogen compounds Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - O-quinomethane - Furan - Heteroaromatic compound - Vinylogous amide - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Vinyl bromide - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Haloalkene - Bromoalkene - Aldehyde - Organic nitrogen compound - Organic zwitterion - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organohalogen compound - Organobromide - 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