tert-butyl 5-nitroindazole-1-carboxylate

Systemtic Name: tert-butyl 5-nitroindazole-1-carboxylate Openeye Name: tert-butyl 5-nitroindazole-1-carboxylate CAS Name: 5-nitro-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-nitroindazole-1-carboxylate Traditional Name: 5-nitroindazole-1-carboxylic acid tert-butyl ester Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C=N1

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C=N1

InChI

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