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

Systemtic Name: 1-[6-(5-bromanylquinolin-8-yl)oxy-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylic acid CAS Name: 1-[6-[(5-bromo-8-quinolinyl)oxy]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[6-[(5-bromo-8-quinolyl)oxy]-5-nitro-pyrimidin-4-yl]isonipecotic acid Formula: C19H16BrN5O5 MolecularWeight: 474.26484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C(=NC=N2)OC3=C4C(=C(C=C3)Br)C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN5O5/c20-13-3-4-14(15-12(13)2-1-7-21-15)30-18-16(25(28)29)17(22-10-23-18)24-8-5-11(6-9-24)19(26)27/h1-4,7,10-11H,5-6,8-9H2,(H,26,27)