Compound Identification
SMILES
CCOC(=O)C(=O)C(=C\N1C(=S)NC2=C1C=C(C=C2)[N+]([O-])=O)\C(=O)OCC
InChIKey
InChIKey=AAVHOKDVZMEXMI-NTMALXAHSA-N
Formula
C16H15N3O7S
Mass
393.37
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 Beta-keto acids and derivatives Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Alpha-keto acids and derivatives Benzenoids Dicarboxylic acids and derivatives Imidazolethiones N-substituted imidazoles Vinylogous amides Acryloyl compounds Heteroaromatic compounds Enones Enoate esters Ketones Thioureas Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzimidazole - Nitroaromatic compound - Beta-keto acid - Fatty acid ester - Alpha-keto acid - Dicarboxylic acid or derivatives - Imidazole-2-thione - Keto acid - Fatty acyl - N-substituted imidazole - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Azole - Enone - Heteroaromatic compound - Imidazole - Vinylogous amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Carboxylic acid ester - C-nitro compound - Ketone - Organic nitro compound - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic oxide - Organonitrogen compound - 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