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Details

Stereochemistry RACEMIC
Molecular Formula C19H19N3O6
Molecular Weight 385.3707
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-Cyanoethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylate

SMILES

COC(=O)C1=C(C)NC(C)=C(C1C2=CC=C(C=C2)[N+]([O-])=O)C(=O)OCCC#N

InChI

InChIKey=QAWHGPVWJUITTE-UHFFFAOYSA-N
InChI=1S/C19H19N3O6/c1-11-15(18(23)27-3)17(13-5-7-14(8-6-13)22(25)26)16(12(2)21-11)19(24)28-10-4-9-20/h5-8,17,21H,4,10H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-(2-Cyanoethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylate
Systematic Name English
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-, 2-cyanoethyl methyl ester
Preferred Name English
Code System Code Type Description
PUBCHEM
101386459
Created by admin on Wed Apr 02 18:09:52 GMT 2025 , Edited by admin on Wed Apr 02 18:09:52 GMT 2025
PRIMARY
FDA UNII
6DR3QZG86W
Created by admin on Wed Apr 02 18:09:52 GMT 2025 , Edited by admin on Wed Apr 02 18:09:52 GMT 2025
PRIMARY
CAS
862889-08-5
Created by admin on Wed Apr 02 18:09:52 GMT 2025 , Edited by admin on Wed Apr 02 18:09:52 GMT 2025
PRIMARY
NIH
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