Compound Identification
SMILES
CCOC1=CC=C(C=C1)C(=O)N1CC[NH+](CC2=CC3=C(OCO3)C=C2)CC1
InChIKey
InChIKey=OQOILMZCSNJNIT-UHFFFAOYSA-O
Formula
C21H25N2O4
Mass
369.44
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
Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Acetals Oxacyclic compounds Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzamide - Benzodioxole - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aralkylamine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Acetal - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Organonitrogen compound - Organic cation - 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