2-[(E)-2-[2,6-bis(fluoranyl)phenyl]ethenyl]-6-bromanyl-quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-[2,6-bis(fluoranyl)phenyl]ethenyl]-6-bromanyl-quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(2,6-difluorophenyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(2,6-difluorophenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-(2,6-difluorophenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-(2,6-difluorophenyl)vinyl]cinchoninate Formula: C18H9BrF2NO2- MolecularWeight: 389.170366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)F)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-])F

InChI

InChI=1S/C18H10BrF2NO2/c19-10-4-7-17-13(8-10)14(18(23)24)9-11(22-17)5-6-12-15(20)2-1-3-16(12)21/h1-9H,(H,23,24)/p-1/b6-5+