Compound Identification
SMILES
COC1=C(NC(C)=O)C2=C(C(=O)OC2)C(=C1OC)[N+]([O-])=O
InChIKey
InChIKey=FJJDVXXCGAYAKG-UHFFFAOYSA-N
Formula
C12H12N2O7
Mass
296.235
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Isocoumarans
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Subclass
Isobenzofuranones
- Level 5 Phthalides
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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
Phthalides
Alternative Parents
Methoxyanilines N-acetylarylamines Anisoles Nitroaromatic compounds Alkyl aryl ethers Acetamides Secondary carboxylic acid amides Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - N-acetylarylamine - Methoxyaniline - Nitroaromatic compound - Anisole - N-arylamide - Alkyl aryl ether - Benzenoid - Acetamide - Carboxamide group - Carboxylic acid ester - Lactone - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid derivative - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
External Descriptors
Not available