Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC(C)=C(C#N)C1C1=C(OC(F)F)C=CC(Br)=C1

InChIKey

InChIKey=JTCFCQMXTVTOIC-UHFFFAOYSA-N

Formula

C17H15BrF2N2O3

Mass

413.219

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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 - Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Enamine - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - 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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