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

Systemtic Name: ethyl 1-[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-(6-benzofurazan-5-yloxy-5-nitro-pyrimidin-4-yl)isonipecotic acid ethyl ester Formula: C18H18N6O6 MolecularWeight: 414.37212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O6/c1-2-28-18(25)11-5-7-23(8-6-11)16-15(24(26)27)17(20-10-19-16)29-12-3-4-13-14(9-12)22-30-21-13/h3-4,9-11H,2,5-8H2,1H3