Compound Identification
SMILES
O=C(N1CCOC(COC2=CC3=C(OCO3)C=C2)C1)C1=CC=C(O1)C#CC1=CC=CC=C1
InChIKey
InChIKey=CDVWEHLXKGPGQT-UHFFFAOYSA-N
Formula
C25H21NO6
Mass
431.444
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
Morpholine carboxylic acids and derivatives Furoic acid and derivatives 2-heteroaryl carboxamides Alkyl aryl ethers Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Morpholine-4-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Benzenoid - Oxazinane - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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