Compound Identification
SMILES
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1C1=CC=CO1
InChIKey
InChIKey=WSQKMSDKNFZDNH-GFCCVEGCSA-N
Formula
C13H12N2O3
Mass
244.25
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrans
Alternative Parents
Vinylogous esters Heteroaromatic compounds Furans Ketones Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyran - Furan - Vinylogous ester - Heteroaromatic compound - Ketene acetal or derivatives - Ketone - Oxacycle - Nitrile - Carbonitrile - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds.
External Descriptors
Not available