ethyl 4-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-nitro-2-pyridyl]piperazine-1-carboxylate CAS Name: 4-[6-(4-ethoxycarbonyl-1-piperazinyl)-5-nitro-2-pyridinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[6-(4-ethoxycarbonylpiperazin-1-yl)-5-nitropyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[6-(4-carbethoxypiperazino)-5-nitro-2-pyridyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H28N6O6 MolecularWeight: 436.46222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H28N6O6/c1-3-30-18(26)23-11-7-21(8-12-23)16-6-5-15(25(28)29)17(20-16)22-9-13-24(14-10-22)19(27)31-4-2/h5-6H,3-4,7-14H2,1-2H3