1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-4-carboxylate

Systemtic Name: 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-4-carboxylate Openeye Name: 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-4-carboxylate CAS Name: 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)-4-piperidinecarboxylate IUPAC Name: 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-4-carboxylate Traditional Name: 1-(7-nitrobenzofurazan-4-yl)isonipecotate Formula: C12H11N4O5- MolecularWeight: 291.23954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5/c17-12(18)7-3-5-15(6-4-7)8-1-2-9(16(19)20)11-10(8)13-21-14-11/h1-2,7H,3-6H2,(H,17,18)/p-1