methyl 1-[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(4-methoxycarbonyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-methoxycarbonyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-carbomethoxypiperidino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O6/c1-28-17(24)12-3-7-21(8-4-12)15-14(23(26)27)16(20-11-19-15)22-9-5-13(6-10-22)18(25)29-2/h11-13H,3-10H2,1-2H3