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

Systemtic Name: methyl 1-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]isonipecotic acid methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C19H22N4O5/c1-12-8-13(2)10-15(9-12)28-18-16(23(25)26)17(20-11-21-18)22-6-4-14(5-7-22)19(24)27-3/h8-11,14H,4-7H2,1-3H3