Compound Identification
SMILES
NC1=CC2=C(C=C1)\C(OC2=O)=C\C1=CC=CN1
InChIKey
InChIKey=PRBOJNBAEJGJTI-GHXNOFRVSA-N
Formula
C13H10N2O2
Mass
226.235
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isocoumarans
- Subclass Isobenzofuranones
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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
Substituted pyrroles Benzenoids Heteroaromatic compounds Enol esters Lactones Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isobenzofuranone - Substituted pyrrole - Benzenoid - Enol ester - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - 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