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

Systemtic Name: ethyl 1-[6-[2-(1,3-dioxolan-2-yl)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[2-(1,3-dioxolan-2-yl)ethylamino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[2-(1,3-dioxolan-2-yl)ethylamino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[2-(1,3-dioxolan-2-yl)ethylamino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[2-(1,3-dioxolan-2-yl)ethylamino]-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)NCCC3OCCO3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCCC3OCCO3)[N+](=O)[O-]

InChI

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