Compound Identification
SMILES
[O-][N+](=O)C1=CC2=C(OCO2)C=C1C(=O)C1COC(=O)C1
InChIKey
InChIKey=KHNSFERBLUZPIK-UHFFFAOYSA-N
Formula
C12H9NO7
Mass
279.204
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Aryl alkyl ketones Nitroaromatic compounds Benzenoids Gamma butyrolactones Oxolanes Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Aldehydes Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Gamma butyrolactone - Benzenoid - Oxolane - Carboxylic acid ester - Ketone - Lactone - C-nitro compound - Organic nitro compound - Oxacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic salt - Aldehyde - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available