1-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)isonipecotic acid Formula: C14H19N5O4 MolecularWeight: 321.33176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=N2)N3CCC(CC3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O4/c20-14(21)10-3-7-18(8-4-10)13-11(19(22)23)12(15-9-16-13)17-5-1-2-6-17/h9-10H,1-8H2,(H,20,21)