ethyl 1-[6-[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[4-(2-ethoxy-2-oxidanylidene-ethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[4-(2-ethoxy-2-oxo-ethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[4-(2-ethoxy-2-oxoethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[4-(2-ethoxy-2-keto-ethyl)piperazino]-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)CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H30N6O6/c1-3-31-16(27)13-23-9-11-25(12-10-23)19-17(26(29)30)18(21-14-22-19)24-7-5-15(6-8-24)20(28)32-4-2/h14-15H,3-13H2,1-2H3