Compound Identification
SMILES
FC1=CC=C(C=C1)C1(CCC=O)OCC2=C1C=CC(=C2)C#N
InChIKey
InChIKey=BBYAFETUIKMLSF-UHFFFAOYSA-N
Formula
C18H14FNO2
Mass
295.313
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
Fluorobenzenes Aryl fluorides Alpha-hydrogen aldehydes Oxacyclic compounds Nitriles Dialkyl ethers Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-hydrogen aldehyde - Dialkyl ether - Ether - Oxacycle - Carbonitrile - Nitrile - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aldehyde - Carbonyl group - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
CHEBI:80607 : nitrile - benzenes