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

Systemtic Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O4/c1-9-7-10(2)20(18-9)14-12(21(24)25)13(16-8-17-14)19-5-3-11(4-6-19)15(22)23/h7-8,11H,3-6H2,1-2H3,(H,22,23)