Compound Identification
SMILES
OC(=O)\C=C\C12CC3(OC3C1O2)C#N
InChIKey
InChIKey=NDXCUYIYFHYORP-OWOJBTEDSA-N
Formula
C9H7NO4
Mass
193.158
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxepanes
- Subclass 1,4-dioxepanes
-
Class
Dioxepanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxepanes
Subclass
1,4-dioxepanes
Intermediate Tree Nodes
Not available
Direct Parent
1,4-dioxepanes
Alternative Parents
Oxanes Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
1,4-dioxepane - Oxane - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 4, respectively.
External Descriptors
Not available