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

Systemtic Name: 1-(6-ethoxy-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid Openeye Name: 1-(6-ethoxy-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylic acid CAS Name: 1-(6-ethoxy-5-nitro-4-pyrimidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(6-ethoxy-5-nitropyrimidin-4-yl)piperidine-4-carboxylic acid Traditional Name: 1-(6-ethoxy-5-nitro-pyrimidin-4-yl)isonipecotic acid Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

Isomeric SMILES

CCOC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)O

InChI

InChI=1S/C12H16N4O5/c1-2-21-11-9(16(19)20)10(13-7-14-11)15-5-3-8(4-6-15)12(17)18/h7-8H,2-6H2,1H3,(H,17,18)