Compound Identification
SMILES
O=N\C(C1CCC1)=C1/NNC2=C1C=CC(C2)(C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=XVHHNYQYBXCPPK-VHXPQNKSSA-N
Formula
C25H23N3O3
Mass
413.477
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
Benzene and substituted derivatives Pyrazolines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds C-nitroso compounds Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Monocyclic benzene moiety - Benzenoid - Pyrazoline - Organic nitroso compound - Acetal - C-nitroso compound - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Hydrazine derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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