Compound Identification
SMILES
OC1(CC2=C(OC(O2)[N+]([O-])=O)C=C1)C=O
InChIKey
InChIKey=BHZSUSZBRWXKBV-UHFFFAOYSA-N
Formula
C8H7NO6
Mass
213.145
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxoles
- Subclass 1,3-dioxoles
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Class
Dioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxoles
Subclass
1,3-dioxoles
Intermediate Tree Nodes
Not available
Direct Parent
1,3-dioxoles
Alternative Parents
Tertiary alcohols Orthocarboxylic acid derivatives C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Meta-dioxole - Tertiary alcohol - C-nitro compound - Orthocarboxylic acid derivative - Organic nitro compound - Oxacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic zwitterion - Organic oxygen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Carbonyl group - Aldehyde - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-dioxoles. These are organic compounds containing 1,3-dioxole, an aliphatic five-member ring with two oxygen atoms in ring positions 1 and 3 and a double bond.
External Descriptors
Not available