Compound Identification
SMILES
CCOC(=O)C1=C(C)N(CCCCCC(O)=O)C(=O)NC1C1=CC2=C(OCO2)C=C1[N+]([O-])=O
InChIKey
InChIKey=OQELBTGRCBSEBC-UHFFFAOYSA-N
Formula
C21H25N3O9
Mass
463.443
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
Nitro fatty acids Medium-chain fatty acids Nitroaromatic compounds Pyrimidones Heterocyclic fatty acids Benzenoids Dicarboxylic acids and derivatives Hydropyrimidines Vinylogous amides Enoate esters Ureas Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Acetals Organic oxoazanium compounds Organic salts Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitro fatty acid - Nitroaromatic compound - Medium-chain fatty acid - Heterocyclic fatty acid - Pyrimidone - Dicarboxylic acid or derivatives - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Benzenoid - Fatty acyl - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Urea - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Acetal - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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