U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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-(3-nitrophenyl)-3,5-pyridinedicarboxylate

SMILES

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

InChI

InChIKey=PVYKGJCGTZQNJL-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula C19H19N3O6
Molecular Weight 385.3707
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:09:12 GMT 2023
Edited
by admin
on Sat Dec 16 20:09:12 GMT 2023
Record UNII
YV5RSR5LXV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-Cyanoethyl) 5-methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate
Systematic Name English
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-cyanoethyl methyl ester
Systematic Name English
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-cyanoethyl) 5-methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
YV5RSR5LXV
Created by admin on Sat Dec 16 20:09:12 GMT 2023 , Edited by admin on Sat Dec 16 20:09:12 GMT 2023
PRIMARY
PUBCHEM
10916009
Created by admin on Sat Dec 16 20:09:12 GMT 2023 , Edited by admin on Sat Dec 16 20:09:12 GMT 2023
PRIMARY
CAS
75130-24-4
Created by admin on Sat Dec 16 20:09:12 GMT 2023 , Edited by admin on Sat Dec 16 20:09:12 GMT 2023
PRIMARY