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

Systemtic Name: ethyl 1-[6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCCCC3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCCCC3C)[N+](=O)[O-]

InChI

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