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

Systemtic Name: ethyl 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C(=CC(=N3)C)C

InChI

InChI=1S/C17H22N6O4/c1-4-27-17(24)13-5-7-21(8-6-13)15-14(23(25)26)16(19-10-18-15)22-12(3)9-11(2)20-22/h9-10,13H,4-8H2,1-3H3