Compound Identification
SMILES
OC(=O)C(O)=O.O=C(NC1=CC2=C(OCCO2)C=C1)C1=CN=CC=C1
InChIKey
InChIKey=MBVILSXFKHAKED-UHFFFAOYSA-N
Formula
C16H14N2O7
Mass
346.295
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
Nicotinamides Alkyl aryl ethers Para dioxins Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzo-1,4-dioxane - Nicotinamide - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Alkyl aryl ether - Dicarboxylic acid or derivatives - Para-dioxin - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available