ethyl 1-[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C21H20BrN5O5 MolecularWeight: 502.318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H20BrN5O5/c1-2-31-21(28)13-7-10-26(11-8-13)19-18(27(29)30)20(25-12-24-19)32-16-6-5-15(22)14-4-3-9-23-17(14)16/h3-6,9,12-13H,2,7-8,10-11H2,1H3