6-bromanyl-2-[(E)-2-[(3R)-oxolan-3-yl]ethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-[(3R)-oxolan-3-yl]ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-[(3R)-tetrahydrofuran-3-yl]vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-[(3R)-3-oxolanyl]ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-[(3R)-oxolan-3-yl]ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-[(3R)-tetrahydrofuran-3-yl]vinyl]cinchoninate Formula: C16H13BrNO3- MolecularWeight: 347.18332

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

C1COC[C@H]1/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C16H14BrNO3/c17-11-2-4-15-13(7-11)14(16(19)20)8-12(18-15)3-1-10-5-6-21-9-10/h1-4,7-8,10H,5-6,9H2,(H,19,20)/p-1/b3-1+/t10-/m0/s1