Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C19H20N2O8 |
| Molecular Weight | 404.3707 |
| Optical Activity | NONE |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, RACEMIC |
SHOW SMILES / InChI
SMILES
CC1=NC(CO)=C(C(O)=O)C(C2=C(C=CC=C2)[N+]([O-])=O)=C1C(=O)OCC(C)(C)O
InChI
InChIKey=RFCISRUPLFRQOY-UHFFFAOYSA-N
InChI=1S/C19H20N2O8/c1-10-14(18(25)29-9-19(2,3)26)15(16(17(23)24)12(8-22)20-10)11-6-4-5-7-13(11)21(27)28/h4-7,22,26H,8-9H2,1-3H3,(H,23,24)
| Molecular Formula | C19H20N2O8 |
| Molecular Weight | 404.3707 |
| 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
Edited
Mon Mar 31 22:29:52 GMT 2025
by
admin
on
Mon Mar 31 22:29:52 GMT 2025
|
| Record UNII |
413B0ZXE2V
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
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91668156
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117173-16-7
Created by
admin on Mon Mar 31 22:29:52 GMT 2025 , Edited by admin on Mon Mar 31 22:29:52 GMT 2025
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413B0ZXE2V
Created by
admin on Mon Mar 31 22:29:52 GMT 2025 , Edited by admin on Mon Mar 31 22:29:52 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> METABOLITE |