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

Systemtic Name: 1-[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-methoxycarbonyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-methoxycarbonyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-methoxycarbonylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-carbomethoxypiperidino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C17H23N5O6 MolecularWeight: 393.39442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)O

InChI

InChI=1S/C17H23N5O6/c1-28-17(25)12-4-8-21(9-5-12)15-13(22(26)27)14(18-10-19-15)20-6-2-11(3-7-20)16(23)24/h10-12H,2-9H2,1H3,(H,23,24)