Compound Identification
SMILES
CC(OC1=CC=C(Br)C=C1)C(=O)N1CC[NH+](CC2=CC3=C(OCO3)C=C2)CC1
InChIKey
InChIKey=WKFIKLZPYDTLDV-UHFFFAOYSA-O
Formula
C21H24BrN2O4
Mass
448.336
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Bromobenzenes N-alkylpiperazines Aryl bromides Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Acetal - Carboxylic acid derivative - Oxacycle - Ether - Organooxygen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organohalogen compound - Organobromide - 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