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

Systemtic Name: methyl 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylate Openeye Name: methyl 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)piperidine-4-carboxylate CAS Name: 1-[6-(1-imidazolyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)piperidine-4-carboxylate Traditional Name: 1-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)isonipecotic acid methyl ester Formula: C14H16N6O4 MolecularWeight: 332.31464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3

InChI

InChI=1S/C14H16N6O4/c1-24-14(21)10-2-5-18(6-3-10)12-11(20(22)23)13(17-8-16-12)19-7-4-15-9-19/h4,7-10H,2-3,5-6H2,1H3