Compound Identification
SMILES
OCCN1CCN(CC2=CC3=C(OCO3)C=C2[N+]([O-])=O)CC1
InChIKey
InChIKey=RWQTZNYXIGKUOS-UHFFFAOYSA-N
Formula
C14H19N3O5
Mass
309.322
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 Aralkylamines N-alkylpiperazines Benzenoids Trialkylamines 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Acetals Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organopnictogen compounds Organic zwitterions Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitroaromatic compound - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Benzenoid - 1,2-aminoalcohol - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Alkanolamine - Propargyl-type 1,3-dipolar organic compound - Acetal - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic oxide - Organic zwitterion - Amine - 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