Compound Identification
SMILES
OCCN(CCO)CN1C=NC2=C1C=C(C=C2)[N+]([O-])=O
InChIKey
InChIKey=HYJCBLIMFXJKGZ-UHFFFAOYSA-N
Formula
C12H16N4O4
Mass
280.284
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzimidazoles
Alternative Parents
Nitroaromatic compounds N-substituted imidazoles Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Alkanolamines Primary alcohols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Nitroaromatic compound - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Organic nitro compound - C-nitro compound - Azacycle - Organic oxoazanium - Alkanolamine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic salt - Alcohol - Primary alcohol - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors
Not available