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

Systemtic Name: 1-[6-(4-carboxypiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(4-carboxy-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(4-carboxy-1-piperidinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(4-carboxypiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(4-carboxypiperidino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H21N5O6 MolecularWeight: 379.36784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O6/c22-15(23)10-1-5-19(6-2-10)13-12(21(26)27)14(18-9-17-13)20-7-3-11(4-8-20)16(24)25/h9-11H,1-8H2,(H,22,23)(H,24,25)