tert-butyl 6-nitro-3-oxidanylidene-2H-indazole-1-carboxylate

Systemtic Name: tert-butyl 6-nitro-3-oxidanylidene-2H-indazole-1-carboxylate Openeye Name: tert-butyl 6-nitro-3-oxo-2H-indazole-1-carboxylate CAS Name: 6-nitro-3-oxo-2H-indazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-nitro-3-oxo-2H-indazole-1-carboxylate Traditional Name: 3-keto-6-nitro-indazoline-1-carboxylic acid tert-butyl ester Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c1-12(2,3)20-11(17)14-9-6-7(15(18)19)4-5-8(9)10(16)13-14/h4-6H,1-3H3,(H,13,16)