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

Systemtic Name: methyl 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-4-carboxylate Openeye Name: methyl 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-4-carboxylate CAS Name: 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperidine-4-carboxylate Traditional Name: 1-(7-nitrobenzofurazan-4-yl)isonipecotic acid methyl ester Formula: C13H14N4O5 MolecularWeight: 306.27406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5/c1-21-13(18)8-4-6-16(7-5-8)9-2-3-10(17(19)20)12-11(9)14-22-15-12/h2-3,8H,4-7H2,1H3