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

Systemtic Name: ethyl 1-[6-[(1-ethoxycarbonylpiperidin-4-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(1-ethoxycarbonyl-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(1-ethoxycarbonyl-4-piperidinyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(1-ethoxycarbonylpiperidin-4-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(1-carbethoxy-4-piperidyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H30N6O6 MolecularWeight: 450.4888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CCN(CC3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3CCN(CC3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H30N6O6/c1-3-31-19(27)14-5-9-24(10-6-14)18-16(26(29)30)17(21-13-22-18)23-15-7-11-25(12-8-15)20(28)32-4-2/h13-15H,3-12H2,1-2H3,(H,21,22,23)