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Details

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

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

SMILES

COC(=O)C1=C(C)NC(C)=C([C@H]1C2=CC(=CC=C2)[N+]([O-])=O)C(=O)OCCC#N

InChI

InChIKey=PVYKGJCGTZQNJL-KRWDZBQOSA-N
InChI=1S/C19H19N3O6/c1-11-15(18(23)27-3)17(13-6-4-7-14(10-13)22(25)26)16(12(2)21-11)19(24)28-9-5-8-20/h4,6-7,10,17,21H,5,9H2,1-3H3/t17-/m0/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3-(2-Cyanoethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate, (4S)-
Systematic Name English
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-cyanoethyl methyl ester, (S)-
Systematic Name English
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-cyanoethyl) 5-methyl ester, (4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
22941475
Created by admin on Sat Dec 16 19:58:12 GMT 2023 , Edited by admin on Sat Dec 16 19:58:12 GMT 2023
PRIMARY
CAS
114208-23-0
Created by admin on Sat Dec 16 19:58:12 GMT 2023 , Edited by admin on Sat Dec 16 19:58:12 GMT 2023
PRIMARY
FDA UNII
F5WS4VPB6D
Created by admin on Sat Dec 16 19:58:12 GMT 2023 , Edited by admin on Sat Dec 16 19:58:12 GMT 2023
PRIMARY
NIH
NCATS
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