1-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O4/c1-11-3-2-6-20(9-11)15-13(21(24)25)14(17-10-18-15)19-7-4-12(5-8-19)16(22)23/h10-12H,2-9H2,1H3,(H,22,23)