Compound Identification
SMILES
CCOC(=O)C1CCN(CC1)C1=C(C(NCC2=CC3=C(OCO3)C=C2)=NC=N1)[N+]([O-])=O
InChIKey
InChIKey=KLLWWSNLDYSKIH-UHFFFAOYSA-N
Formula
C20H23N5O6
Mass
429.433
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
Piperidinecarboxylic acids Dialkylarylamines Nitroaromatic compounds Secondary alkylarylamines Aminopyrimidines and derivatives Benzenoids Imidolactams Heteroaromatic compounds Carboxylic acid esters Acetals Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organic zwitterions Organic salts Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Piperidinecarboxylic acid - Nitroaromatic compound - Dialkylarylamine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - 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