Compound Identification
SMILES
O=C1OC(NC2CCC(=O)OC2=O)C2=CC=CC=C12
InChIKey
InChIKey=NNJDQBBPQOZMKB-UHFFFAOYSA-N
Formula
C13H11NO5
Mass
261.233
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzofurans
- Subclass Benzofuranones
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Class
Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Benzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Benzofuranones
Alternative Parents
Phthalides Alpha amino acids and derivatives Delta valerolactones Oxanes Dicarboxylic acids and derivatives Benzenoids Carboxylic acid anhydrides Carboxylic acid esters Secondary amines Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Delta valerolactone - Delta_valerolactone - Benzenoid - Oxane - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Amino acid or derivatives - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
External Descriptors
Not available