Compound Identification
SMILES
CC1=C(C(C2=C(C=CC=N2)C(F)(F)F)C(=C(C)N1)[N+]([O-])=O)C(=O)OCCC1=CC=CC=C1
InChIKey
InChIKey=FTHOKTVLIFWKRJ-UHFFFAOYSA-N
Formula
C22H20F3N3O4
Mass
447.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Hydropyridines
- Level 5 Dihydropyridines
-
Subclass
Hydropyridines
-
Class
Pyridines and derivatives
-
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
Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Enoate esters C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Dialkylamines Monocarboxylic acids and derivatives Enamines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Monocyclic benzene moiety - Benzenoid - Enoate ester - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Secondary aliphatic amine - Enamine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - 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