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

Systemtic Name: ethyl 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H25N5O6 MolecularWeight: 443.4531

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NCC3COC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O6/c1-2-30-21(27)14-7-9-25(10-8-14)20-18(26(28)29)19(23-13-24-20)22-11-15-12-31-16-5-3-4-6-17(16)32-15/h3-6,13-15H,2,7-12H2,1H3,(H,22,23,24)