Compound Identification
SMILES
CCSCCOC(=O)C1=C(C)NC2=C(C1C1=CC3=C(OCO3)C=C1[N+]([O-])=O)C(=O)C(C(C)C2)C(=O)OC
InChIKey
InChIKey=QDMRNONJSCYPEJ-UHFFFAOYSA-N
Formula
C25H28N2O9S
Mass
532.56
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
Nitroaromatic compounds Cyclohexenones Dihydropyridines 1,3-dicarbonyl compounds Benzenoids Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Amino acids and derivatives Acetals Enamines Oxacyclic compounds Dialkylthioethers Dialkylamines Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Aldehydes Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitroaromatic compound - Dihydropyridine - Cyclohexenone - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - C-nitro compound - Ketone - Organic nitro compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Secondary aliphatic amine - Sulfenyl compound - Thioether - Secondary amine - Acetal - Enamine - Azacycle - Organic oxoazanium - Oxacycle - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Aldehyde - Amine - Carbonyl group - Organic nitrogen compound - Organic salt - 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