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

Systemtic Name: ethyl 1-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O6/c1-2-29-20(26)14-4-3-7-24(10-14)19-17(25(27)28)18(22-11-23-19)21-9-13-5-6-15-16(8-13)31-12-30-15/h5-6,8,11,14H,2-4,7,9-10,12H2,1H3,(H,21,22,23)