ethyl 4-[6-(3-ethoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(3-ethoxycarbonylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(3-ethoxycarbonyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-(3-ethoxycarbonyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(3-ethoxycarbonylpiperidin-1-yl)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(3-carbethoxypiperidino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C19H28N6O6 MolecularWeight: 436.46222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)N3CCN(CC3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C19H28N6O6/c1-3-30-18(26)14-6-5-7-24(12-14)17-15(25(28)29)16(20-13-21-17)22-8-10-23(11-9-22)19(27)31-4-2/h13-14H,3-12H2,1-2H3