ethyl 1-[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(4-methoxycarbonyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(4-methoxycarbonyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(4-carbomethoxypiperidino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C19H27N5O6 MolecularWeight: 421.44758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-]

InChI

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