tert-butyl 5-iodanyl-4-nitro-indazole-1-carboxylate

Systemtic Name: tert-butyl 5-iodanyl-4-nitro-indazole-1-carboxylate Openeye Name: tert-butyl 5-iodo-4-nitro-indazole-1-carboxylate CAS Name: 5-iodo-4-nitro-1-indazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-iodo-4-nitroindazole-1-carboxylate Traditional Name: 5-iodo-4-nitro-indazole-1-carboxylic acid tert-butyl ester Formula: C12H12IN3O4 MolecularWeight: 389.14585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12IN3O4/c1-12(2,3)20-11(17)15-9-5-4-8(13)10(16(18)19)7(9)6-14-15/h4-6H,1-3H3