6-bromanyl-2-(5-phenylfuran-2-yl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(5-phenylfuran-2-yl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(5-phenyl-2-furyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(5-phenyl-2-furanyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(5-phenylfuran-2-yl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(5-phenyl-2-furyl)cinchoninate Formula: C20H11BrNO3- MolecularWeight: 393.21024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Br)C(=C3)C(=O)[O-]

InChI

InChI=1S/C20H12BrNO3/c21-13-6-7-16-14(10-13)15(20(23)24)11-17(22-16)19-9-8-18(25-19)12-4-2-1-3-5-12/h1-11H,(H,23,24)/p-1