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Details

Stereochemistry ACHIRAL
Molecular Formula C19H19N3O5
Molecular Weight 369.372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL 5-ISOPROPYL 4-(2,1,3-BENZOXADIAZOL-4-YL)-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE

SMILES

CC(C)OC(=O)c1c(C)nc(C)c(c1-c2cccc3c2non3)C(=O)OC

InChI

InChIKey=XXUCEEUFISNYCI-UHFFFAOYSA-N
InChI=1S/C19H19N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9H,1-5H3

HIDE SMILES / InChI

Molecular Formula C19H19N3O5
Molecular Weight 369.372
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:48:55 UTC 2021
Edited
by admin
on Fri Jun 25 23:48:55 UTC 2021
Record UNII
JPS7AGG1GU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL 5-ISOPROPYL 4-(2,1,3-BENZOXADIAZOL-4-YL)-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLATE
Systematic Name English
3,5-PYRIDINEDICARBOXYLIC ACID, 4-(2,1,3-BENZOXADIAZOL-4-YL)-2,6-DIMETHYL-, 3-METHYL 5-(1-METHYLETHYL) ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
JPS7AGG1GU
Created by admin on Fri Jun 25 23:48:55 UTC 2021 , Edited by admin on Fri Jun 25 23:48:55 UTC 2021
PRIMARY
PUBCHEM
10406778
Created by admin on Fri Jun 25 23:48:55 UTC 2021 , Edited by admin on Fri Jun 25 23:48:55 UTC 2021
PRIMARY
CAS
116169-18-7
Created by admin on Fri Jun 25 23:48:55 UTC 2021 , Edited by admin on Fri Jun 25 23:48:55 UTC 2021
PRIMARY
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