Compound Identification
SMILES
CC(C)(C)N=C1OC(=O)C2=CC=CC=C12
InChIKey
InChIKey=NYSHJMKLECICMP-UHFFFAOYSA-N
Formula
C12H13NO2
Mass
203.241
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isocoumarans
- Subclass Isobenzofuranones
-
Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Isobenzofuranones
Alternative Parents
Benzenoids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isobenzofuranone - Benzenoid - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isobenzofuranones. These are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position.
External Descriptors
Not available