Compound Identification
SMILES
CC1=CC(C)=C(C)C=C1C1=CSC(=NCC2CCCO2)N1N=CC1=CC2=C(OCO2)C=C1[N+]([O-])=O
InChIKey
InChIKey=DBLVGKOPKSUKNQ-UHFFFAOYSA-N
Formula
C25H26N4O5S
Mass
494.57
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 Benzene and substituted derivatives Thiazoles Oxolanes Heteroaromatic compounds Acetals Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Azole - Oxolane - Thiazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Dialkyl ether - Ether - Acetal - Organic oxoazanium - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organopnictogen compound - 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