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

Systemtic Name: ethyl 1-[5-nitro-6-(4-propoxyphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[5-nitro-6-(4-propoxyphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(4-propoxyphenoxy)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-nitro-6-(4-propoxyphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-6-(4-propoxyphenoxy)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C21H26N4O6/c1-3-13-30-16-5-7-17(8-6-16)31-20-18(25(27)28)19(22-14-23-20)24-11-9-15(10-12-24)21(26)29-4-2/h5-8,14-15H,3-4,9-13H2,1-2H3