Compound Identification
SMILES
CCOC(=O)C1=C(COCCNC2=NNC(N)=N2)NC(C)=C(C1C1=C(Cl)N=CC=C1)C(=O)OC
InChIKey
InChIKey=JXTJZHCWCUQLTO-UHFFFAOYSA-N
Formula
C21H26ClN7O5
Mass
491.93
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
Secondary alkylarylamines 2-halopyridines Aryl chlorides Dicarboxylic acids and derivatives Vinylogous amides Triazoles Methyl esters Heteroaromatic compounds Enoate esters Amino acids and derivatives Azacyclic compounds Enamines Dialkylamines Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - 2-halopyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - 1,2,4-triazole - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Azacycle - Enamine - Ether - Hydrocarbon derivative - Organic nitrogen compound - Amine - Primary amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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