1H-Indazole-1-carboxylic acid, 4-nitro-, 1,1-dimethylethyl ester

CAS Registry Number®

801315-75-3
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CAS Name

1H-Indazole-1-carboxylic acid, 4-nitro-, 1,1-dimethylethyl ester

Molecular Formula

C12H13N3O4

Molecular Mass

263.25

Cite this Page

1H-Indazole-1-carboxylic acid, 4-nitro-, 1,1-dimethylethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=801315-75-3 (retrieved 2024-08-29) (CAS RN: 801315-75-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XXEBQBAOQGKRMP-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=2C(=C(N(=O)=O)C=CC2)C=N1

Canonical SMILES

O=C(OC(C)(C)C)N1N=CC=2C(=CC=CC21)N(=O)=O

Other Names for this Substance

  • 1H-Indazole-1-carboxylic acid, 4-nitro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-nitro-1H-indazole-1-carboxylate
  • tert-Butyl 4-nitro-1H-indazole-1-carboxylate