Compound Identification
SMILES
CC(C)[C@@H](C[N+]([O-])=O)[C@](C#N)(N(C)[C@H]1COC(C)(C)O[C@H]1C1=CC=CC=C1)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=PELPMNMQGZSLQL-PTTWGSOISA-N
Formula
C27H33N3O6
Mass
495.576
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
Ketals Aralkylamines Benzene and substituted derivatives 1,3-dioxanes Trialkylamines C-nitro compounds Alpha-aminonitriles Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Ketal - Aralkylamine - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Alpha-aminonitrile - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Acetal - Carbonitrile - Nitrile - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Organic salt - 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