ethyl 1-[6-[1,3-dioxolan-2-ylmethyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[1,3-dioxolan-2-ylmethyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[1,3-dioxolan-2-ylmethyl(methyl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[1,3-dioxolan-2-ylmethyl(methyl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[1,3-dioxolan-2-ylmethyl(methyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[1,3-dioxolan-2-ylmethyl(methyl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C17H25N5O6 MolecularWeight: 395.4103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(C)CC3OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(C)CC3OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O6/c1-3-26-17(23)12-4-6-21(7-5-12)16-14(22(24)25)15(18-11-19-16)20(2)10-13-27-8-9-28-13/h11-13H,3-10H2,1-2H3