5-bromanyl-2-(2,5-dimethylfuran-3-yl)quinoline-4-carboxylate

Systemtic Name: 5-bromanyl-2-(2,5-dimethylfuran-3-yl)quinoline-4-carboxylate Openeye Name: 5-bromo-2-(2,5-dimethyl-3-furyl)quinoline-4-carboxylate CAS Name: 5-bromo-2-(2,5-dimethyl-3-furanyl)-4-quinolinecarboxylate IUPAC Name: 5-bromo-2-(2,5-dimethylfuran-3-yl)quinoline-4-carboxylate Traditional Name: 5-bromo-2-(2,5-dimethyl-3-furyl)cinchoninate Formula: C16H11BrNO3- MolecularWeight: 345.16744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C2=NC3=C(C(=CC=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C)C2=NC3=C(C(=CC=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C16H12BrNO3/c1-8-6-10(9(2)21-8)14-7-11(16(19)20)15-12(17)4-3-5-13(15)18-14/h3-7H,1-2H3,(H,19,20)/p-1