tert-butyl 4-(5-nitro-1-benzofuran-7-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-nitro-1-benzofuran-7-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-nitrobenzofuran-7-yl)piperazine-1-carboxylate CAS Name: 4-(5-nitro-7-benzofuranyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-nitro-1-benzofuran-7-yl)piperazine-1-carboxylate Traditional Name: 4-(5-nitrobenzofuran-7-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=CC(=C2)[N+](=O)[O-])C=CO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=CC(=C2)[N+](=O)[O-])C=CO3

InChI

InChI=1S/C17H21N3O5/c1-17(2,3)25-16(21)19-7-5-18(6-8-19)14-11-13(20(22)23)10-12-4-9-24-15(12)14/h4,9-11H,5-8H2,1-3H3