Compound Identification
SMILES
COC1=CC(=CNNC(=O)C[N+]2=CC(=CN2)[N+]([O-])=O)C=C(Br)C1=O
InChIKey
InChIKey=AOFZXRLMFDCJDS-UHFFFAOYSA-O
Formula
C13H13BrN5O5
Mass
399.18
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
-
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
Nitroaromatic compounds Pyrazoles Heteroaromatic compounds Alpha-haloketones Carboxylic acid hydrazides Vinyl bromides Organic oxoazanium compounds Bromoalkenes Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - P-quinomethane - Alpha-haloketone - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Bromoalkene - Vinyl bromide - Vinyl halide - Organoheterocyclic compound - Haloalkene - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic salt - Organic nitrogen compound - Organobromide - Organic cation - 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