Compound Identification
SMILES
NC(=O)C(C#N)=C1OC(=O)C2=C1C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=KOFGLANTJRUERO-UHFFFAOYSA-N
Formula
C11H5N3O5
Mass
259.177
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
Nitroaromatic compounds Benzenoids Enol esters Primary carboxylic acid amides Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Nitriles Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isobenzofuranone - Nitroaromatic compound - Benzenoid - Enol ester - Carboxamide group - Carboxylic acid ester - Lactone - C-nitro compound - Primary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Organopnictogen compound - Cyanide - Carbonyl group - Organic nitrogen compound - Organic salt - 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