methyl 1-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)piperidine-4-carboxylate

Systemtic Name: methyl 1-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: methyl 1-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(5-nitro-6-piperidino-pyrimidin-4-yl)isonipecotic acid methyl ester Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C16H23N5O4/c1-25-16(22)12-5-9-20(10-6-12)15-13(21(23)24)14(17-11-18-15)19-7-3-2-4-8-19/h11-12H,2-10H2,1H3