Compound Identification
SMILES
CN(C=C1OC(=O)C2=CC=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=ZXMWVSZLSBKKDZ-UHFFFAOYSA-N
Formula
C16H13NO2
Mass
251.285
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
Tertiary alkylarylamines Aniline and substituted anilines Enol esters Lactones Amino acids and derivatives Oxacyclic compounds Enamines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isobenzofuranone - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Enol ester - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Carboxylic acid derivative - Enamine - Oxacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen 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