ethyl 1-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2,3-dihydrobenzofuran-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(coumaran-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5/c1-2-30-21(27)15-5-8-25(9-6-15)20-18(26(28)29)19(23-13-24-20)22-12-14-3-4-17-16(11-14)7-10-31-17/h3-4,11,13,15H,2,5-10,12H2,1H3,(H,22,23,24)