Compound Identification
SMILES
O.CS(O)(=O)=O.CCOC(=O)C1=C(COCCN)NC(C)=C(C1C1=CC=CC=C1Cl)C(=O)OC
InChIKey
InChIKey=LGWOIMCQWJLZIT-UHFFFAOYSA-N
Formula
C21H31ClN2O9S
Mass
522.99
Taxonomic Classification
Taxonomy Tree
-
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
Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Alkanesulfonic acids Vinylogous amides Sulfonyls Organosulfonic acids Enoate esters Methanesulfonates Methyl esters Amino acids and derivatives Enamines Azacyclic compounds Dialkylamines Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Dihydropyridinecarboxylic acid derivative - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Methanesulfonate - Vinylogous amide - Enoate ester - Methyl ester - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Organosulfur compound - Primary amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - 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