Compound Identification
SMILES
[O-]C(=O)[C@H]1CN(CC2=CC3=C(OCO3)C=C2)C(=O)C1
InChIKey
InChIKey=QPPHUXXOFJHSIQ-SECBINFHSA-M
Formula
C13H12NO5
Mass
262.242
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
Pyrrolidine carboxylic acids Oxoprolines Pyrrolidine-2-ones Benzenoids N-alkylpyrrolidines Tertiary carboxylic acid amides Carboxylic acid salts Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Acetals Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid salt - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Acetal - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic anion - 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