Compound Identification
SMILES
CCC1=CC=C(CC2=NN=C(O2)N=C([O-])C2=COCCO2)C=C1
InChIKey
InChIKey=IPYOGXVEZZFZHG-UHFFFAOYSA-M
Formula
C16H16N3O4
Mass
314.322
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Dioxins
- Subclass Para dioxins
-
Class
Dioxins
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dioxins
Subclass
Para dioxins
Intermediate Tree Nodes
Not available
Direct Parent
Para dioxins
Alternative Parents
Benzene and substituted derivatives Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Carboximidic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Para-dioxin - Benzenoid - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Carboximidic acid - Carboximidic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as para dioxins. These are compounds containing a para dioxin moiety, which consists of an unsaturated six-member ring with two oxygen atoms at positions 1 and 4, as well as two CC double bonds.
External Descriptors
Not available