Structure Information
Structure

Compound Identification

SMILES

CCC1=NC(CC)=C(C(C2=CC(=CC=C2)[N+]([O-])=O)\C1=C1/ONC(CSCC2=CC=CC=C2)=N1)C(=O)OC

InChIKey

InChIKey=GSKXTTYEYSBTBL-LCUIJRPUSA-N

Formula

C27H28N4O5S

Mass

520.6

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridines and derivatives

Subclass

Hydropyridines

Intermediate Tree Nodes

Dihydropyridines

Direct Parent

Dihydropyridinecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dihydropyridinecarboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Imidolactam - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketene acetal or derivatives - Ketimine - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Oxacycle - Dialkylthioether - Organic 1,3-dipolar compound - Sulfenyl compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amidine - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic salt - Carbonyl group - Organic oxide - Organic nitrogen compound - Imine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.

External Descriptors

Not available

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