2-[5-(4-bromanyl-3-chloranyl-phenyl)furan-2-yl]-6-chloranyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-(4-bromanyl-3-chloranyl-phenyl)furan-2-yl]-6-chloranyl-quinoline-4-carboxylate Openeye Name: 2-[5-(4-bromo-3-chloro-phenyl)-2-furyl]-6-chloro-quinoline-4-carboxylate CAS Name: 2-[5-(4-bromo-3-chlorophenyl)-2-furanyl]-6-chloro-4-quinolinecarboxylate IUPAC Name: 2-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-6-chloroquinoline-4-carboxylate Traditional Name: 2-[5-(4-bromo-3-chloro-phenyl)-2-furyl]-6-chloro-cinchoninate Formula: C20H9BrCl2NO3- MolecularWeight: 462.10036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)[O-])Cl)Br

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)[O-])Cl)Br

InChI

InChI=1S/C20H10BrCl2NO3/c21-14-3-1-10(7-15(14)23)18-5-6-19(27-18)17-9-13(20(25)26)12-8-11(22)2-4-16(12)24-17/h1-9H,(H,25,26)/p-1