ethyl 1-[6-(3-acetyloxyphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(3-acetyloxyphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-acetoxyphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-acetyloxyphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-acetyloxyphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-acetoxyphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H22N4O7 MolecularWeight: 430.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=CC=C3)OC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=CC=C3)OC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O7/c1-3-29-20(26)14-7-9-23(10-8-14)18-17(24(27)28)19(22-12-21-18)31-16-6-4-5-15(11-16)30-13(2)25/h4-6,11-12,14H,3,7-10H2,1-2H3