Compound Identification
SMILES
OCC(Br)(CO)[N+]([O-])=O.COC(=O)NC1=NC2=CC=CC=C2N1
InChIKey
InChIKey=NGUCNCSFOGXRAS-UHFFFAOYSA-N
Formula
C12H15BrN4O6
Mass
391.178
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzimidazoles
- Subclass 2-benzimidazolylcarbamic acid esters
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Class
Benzimidazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
2-benzimidazolylcarbamic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-benzimidazolylcarbamic acid esters
Alternative Parents
Benzenoids Carbamate esters Heteroaromatic compounds Imidazoles Bromohydrins C-nitro compounds Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Primary alcohols Alkyl bromides Organic zwitterions Organobromides
Molecular Framework
Not available
Substituents
2-benzimidazolylcarbamic acid ester - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Bromohydrin - Halohydrin - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Alkyl bromide - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Primary alcohol - Alkyl halide - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety.
External Descriptors
Not available