Compound Identification
SMILES
[O-][N+](=O)C(CC1CO1)(C#N)[N+]([O-])=O
InChIKey
InChIKey=IXZVRFJZDHHSPJ-UHFFFAOYSA-N
Formula
C5H5N3O5
Mass
187.111
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic 1,3-dipolar compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Subclass
Organic nitro compounds
- Level 5 C-nitro compounds
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Subclass
Organic nitro compounds
-
Class
Allyl-type 1,3-dipolar organic compounds
-
Superclass
Organic 1,3-dipolar compounds
Kingdom
Organic compounds
Superclass
Organic 1,3-dipolar compounds
Class
Allyl-type 1,3-dipolar organic compounds
Subclass
Organic nitro compounds
Intermediate Tree Nodes
Not available
Direct Parent
C-nitro compounds
Alternative Parents
Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Nitriles Epoxides Dialkyl ethers Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
C-nitro compound - Dialkyl ether - Oxirane - Ether - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic cation - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as c-nitro compounds. These are compounds having the nitro group, -NO2 (free valence on nitrogen), which is attached to carbon.
External Descriptors
Not available