ethyl 1-[6-(2-methyl-5-phenyl-pyrazol-3-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(2-methyl-5-phenyl-pyrazol-3-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2-methyl-5-phenyl-pyrazol-3-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(2-methyl-5-phenyl-3-pyrazolyl)oxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2-methyl-5-phenylpyrazol-3-yl)oxy-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2-methyl-5-phenyl-pyrazol-3-yl)oxy-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN3C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC(=NN3C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O5/c1-3-32-22(29)16-9-11-27(12-10-16)20-19(28(30)31)21(24-14-23-20)33-18-13-17(25-26(18)2)15-7-5-4-6-8-15/h4-8,13-14,16H,3,9-12H2,1-2H3