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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Bromobenzenes Aryl bromides Vinylogous amides Methyl esters Enoate esters Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkylamines Enamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides Alkyl fluorides
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