methyl 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCC(CC3)C(=O)OC)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N6O4/c1-10-8-11(2)21(19-10)15-13(22(24)25)14(17-9-18-15)20-6-4-12(5-7-20)16(23)26-3/h8-9,12H,4-7H2,1-3H3