Compound Identification
SMILES
O=C1C[C@H]2CCCC[C@@]22COC(=O)[C@@H](C#N)[C@H]2C1
InChIKey
InChIKey=KWCUQJUPUYVKGZ-RFVSLCSESA-N
Formula
C14H17NO3
Mass
247.294
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Naphthopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Naphthopyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthopyrans
Alternative Parents
Delta valerolactones Oxanes Cyclic ketones Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Naphthopyran - Delta valerolactone - Delta_valerolactone - Oxane - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Carbonitrile - Nitrile - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
External Descriptors
Not available