Compound Identification
SMILES
Br.OC1=CC=CC(=C1)N1N\C(C=C1)=C1/C=C(O)C(=O)C(=C1)[N+]([O-])=O
InChIKey
InChIKey=BULRPWYTOQSANH-MWMYENNMSA-N
Formula
C15H12BrN3O5
Mass
394.181
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 P-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
P-quinomethanes
Alternative Parents
1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Pyrazolines C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enols Azacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Hydrobromides Hydrazines and derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
P-quinomethane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Pyrazoline - C-nitro compound - Organic nitro compound - Enol - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Hydrobromide - Organic zwitterion - Hydrazine derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 4, respectively.
External Descriptors
Not available