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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)OC3=CC(=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c1-4-28-20(25)15-6-5-7-23(11-15)18-17(24(26)27)19(22-12-21-18)29-16-9-13(2)8-14(3)10-16/h8-10,12,15H,4-7,11H2,1-3H3