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

Systemtic Name: ethyl 1-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C

InChI

InChI=1S/C18H27N5O4/c1-3-27-18(24)14-6-9-21(10-7-14)16-15(23(25)26)17(20-12-19-16)22-8-4-5-13(2)11-22/h12-14H,3-11H2,1-2H3