Compound Identification
SMILES
CC1=C(C#N)C2=NC3=CC=CC=C3N2C(=O)C1=CNC1=C([O-])C=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=VAENACBTEQWNMQ-UHFFFAOYSA-M
Formula
C20H12N5O4
Mass
386.348
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
Imidazo[1,2-a]pyridines Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Pyridinones Methylpyridines Phenoxides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Organic oxoazanium compounds Nitriles Azacyclic compounds Organic salts Organic oxides Amines Hydrocarbon derivatives Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Imidazo[1,2-a]pyridine - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Methylpyridine - Phenoxide - Pyridinone - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - Lactam - C-nitro compound - Azacycle - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organic salt - Organic oxide - Organonitrogen compound - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic cation - 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