Compound Identification
SMILES
COC[C@@H](\C=C\CC(N)=O)[N+]([O-])=O
InChIKey
InChIKey=BBVNPULSFDYZQN-YRFDSLTASA-N
Formula
C7H12N2O4
Mass
188.183
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
-
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
Primary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkyl ethers Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Carboxamide group - C-nitro compound - Primary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic 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