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

Systemtic Name: ethyl 1-[6-(4-ethoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(4-ethoxycarbonyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(4-ethoxycarbonyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-ethoxycarbonylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(4-carbethoxypiperidino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H29N5O6 MolecularWeight: 435.47416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C(=O)OCC

InChI

InChI=1S/C20H29N5O6/c1-3-30-19(26)14-7-10-23(11-8-14)17-16(25(28)29)18(22-13-21-17)24-9-5-6-15(12-24)20(27)31-4-2/h13-15H,3-12H2,1-2H3