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

Systemtic Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-2-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-nitro-4-(piperonylamino)pyrimidin-2-yl]isonipecotic acid ethyl ester Formula: C20H23N5O6 MolecularWeight: 429.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O6/c1-2-29-19(26)14-5-7-24(8-6-14)20-22-11-15(25(27)28)18(23-20)21-10-13-3-4-16-17(9-13)31-12-30-16/h3-4,9,11,14H,2,5-8,10,12H2,1H3,(H,21,22,23)