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

Systemtic Name: methyl 1-[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18BrN5O5 MolecularWeight: 488.29142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O5/c1-30-20(27)12-6-9-25(10-7-12)18-17(26(28)29)19(24-11-23-18)31-15-5-4-14(21)13-3-2-8-22-16(13)15/h2-5,8,11-12H,6-7,9-10H2,1H3