ethyl 1-[6-(2,3-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(2,3-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2,3-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2,3-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2,3-dimethylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2,3-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC(=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=CC=CC(=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-4-28-20(25)15-8-10-23(11-9-15)18-17(24(26)27)19(22-12-21-18)29-16-7-5-6-13(2)14(16)3/h5-7,12,15H,4,8-11H2,1-3H3