Compound Identification
SMILES
CC1=C(C#N)[C@@H](C2=CC3=C(OCO3)C=C2)C2=C(CCCC2=O)N1
InChIKey
InChIKey=MVZWFSHHDPBDGC-QGZVFWFLSA-N
Formula
C18H16N2O3
Mass
308.337
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
Dihydropyridines Cyclohexenones Benzenoids Vinylogous amides Oxacyclic compounds Nitriles Enamines Dialkylamines Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Dihydropyridine - Cyclohexenone - Benzenoid - Vinylogous amide - Ketone - Acetal - Secondary aliphatic amine - Enamine - Oxacycle - Azacycle - Secondary amine - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - 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