Compound Identification
SMILES
COC(=O)C=C1CCCN1CCC1=CC2=C(OCO2)C=C1CC#N
InChIKey
InChIKey=NLPPGQPGOWINQJ-UHFFFAOYSA-N
Formula
C18H20N2O4
Mass
328.368
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
Phenethylamines Aralkylamines N-alkylpyrrolidines Vinylogous amides Methyl esters Enoate esters Trialkylamines Amino acids and derivatives Oxacyclic compounds Acetals Nitriles Monocarboxylic acids and derivatives Enamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenethylamine - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Acetal - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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