1-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-ethoxycarbonyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-carbethoxypiperazino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H24N6O6 MolecularWeight: 408.40906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H24N6O6/c1-2-29-17(26)22-9-7-21(8-10-22)15-13(23(27)28)14(18-11-19-15)20-5-3-12(4-6-20)16(24)25/h11-12H,2-10H2,1H3,(H,24,25)