methyl 1-[6-(methylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(methylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(methylamino)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(methylamino)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(methylamino)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C12H17N5O4 MolecularWeight: 295.29448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

Isomeric SMILES

CNC1=NC=NC(=C1[N+](=O)[O-])N2CCC(CC2)C(=O)OC

InChI

InChI=1S/C12H17N5O4/c1-13-10-9(17(19)20)11(15-7-14-10)16-5-3-8(4-6-16)12(18)21-2/h7-8H,3-6H2,1-2H3,(H,13,14,15)