Compound Identification
SMILES
CC1=C(C)C=C(NC2=NC(NN=CC3=CC4=C(OCO4)C=C3)=NC(NC3=CC=C(C=C3)[N+]([O-])=O)=N2)C=C1
InChIKey
InChIKey=CPNFYAAENFYQRG-UHFFFAOYSA-N
Formula
C25H22N8O4
Mass
498.503
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
Nitrobenzenes o-Xylenes 1,3,5-triazine-2,4-diamines Aniline and substituted anilines Nitroaromatic compounds 1,3,5-triazines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Azacyclic compounds Hydrazones Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - O-xylene - Xylene - Aniline or substituted anilines - Amino-1,3,5-triazine - Aminotriazine - Monocyclic benzene moiety - Triazine - 1,3,5-triazine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Acetal - Hydrazone - Oxacycle - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic zwitterion - Organic salt - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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