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

Systemtic Name: ethyl 1-[6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCC1CCCCN1C2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C19H29N5O4/c1-3-15-7-5-6-10-23(15)18-16(24(26)27)17(20-13-21-18)22-11-8-14(9-12-22)19(25)28-4-2/h13-15H,3-12H2,1-2H3