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

Systemtic Name: methyl 1-[6-(4-ethoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(4-ethoxycarbonyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(4-ethoxycarbonyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(4-ethoxycarbonylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-carbethoxypiperidino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H27N5O6 MolecularWeight: 421.44758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O6/c1-3-30-19(26)14-6-10-23(11-7-14)17-15(24(27)28)16(20-12-21-17)22-8-4-13(5-9-22)18(25)29-2/h12-14H,3-11H2,1-2H3