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

Systemtic Name: ethyl 1-[6-[2-(1,3-dioxolan-2-yl)ethyl-methyl-amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[2-(1,3-dioxolan-2-yl)ethyl-methyl-amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(1,3-dioxolan-2-yl)ethyl-methylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[2-(1,3-dioxolan-2-yl)ethyl-methyl-amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H27N5O6 MolecularWeight: 409.43688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(C)CCC3OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)N(C)CCC3OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O6/c1-3-27-18(24)13-4-8-22(9-5-13)17-15(23(25)26)16(19-12-20-17)21(2)7-6-14-28-10-11-29-14/h12-14H,3-11H2,1-2H3