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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13N3O4
Molecular Weight 263.2493
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 5-nitro-1H-indazole-1-carboxylate

SMILES

CC(C)(C)OC(=O)N1N=CC2=C1C=CC(=C2)[N+]([O-])=O

InChI

InChIKey=YXAJFAVMXBRTMU-UHFFFAOYSA-N
InChI=1S/C12H13N3O4/c1-12(2,3)19-11(16)14-10-5-4-9(15(17)18)6-8(10)7-13-14/h4-7H,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H13N3O4
Molecular Weight 263.2493
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 Wed Apr 02 19:49:20 GMT 2025
Edited
by admin
on Wed Apr 02 19:49:20 GMT 2025
Record UNII
2JN85LDN8E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-Dimethylethyl 5-nitro-1H-indazole-1-carboxylate
Preferred Name English
tert-Butyl 5-nitro-1H-indazole-1-carboxylate
Systematic Name English
5-Nitroindazole-1-carboxylic acid tert-butyl ester
Systematic Name English
1H-Indazole-1-carboxylic acid, 5-nitro-, 1,1-dimethylethyl ester
Systematic Name English
Code System Code Type Description
CAS
129488-09-1
Created by admin on Wed Apr 02 19:49:20 GMT 2025 , Edited by admin on Wed Apr 02 19:49:20 GMT 2025
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FDA UNII
2JN85LDN8E
Created by admin on Wed Apr 02 19:49:20 GMT 2025 , Edited by admin on Wed Apr 02 19:49:20 GMT 2025
PRIMARY
PUBCHEM
11499917
Created by admin on Wed Apr 02 19:49:20 GMT 2025 , Edited by admin on Wed Apr 02 19:49:20 GMT 2025
PRIMARY