Compound Identification
SMILES
COC1=NC(OC)=C(C(CC(C)=O)[N-]1)[N+]([O-])=O
InChIKey
InChIKey=OULANGKCKVCLSQ-UHFFFAOYSA-N
Formula
C9H12N3O5
Mass
242.212
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Nitropyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitropyrimidines
Alternative Parents
Hydropyrimidines Ketones C-nitro compounds Organic oxoazanium compounds Carbene-type 1,3-dipolar compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Nitropyrimidine - Hydropyrimidine - 1,6-dihydropyrimidine - Ketone - C-nitro compound - Organic nitro compound - Carbene-type 1,3-dipolar compound - Organic oxoazanium - Azacycle - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitropyrimidines. These are compounds containing a pyrimidine ring which bears a nitro group. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available