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

Systemtic Name: 2-[5-(4-bromanyl-3-chloranyl-phenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylate Openeye Name: 2-[5-(4-bromo-3-chloro-phenyl)-2-furyl]-6-ethyl-quinoline-4-carboxylate CAS Name: 2-[5-(4-bromo-3-chlorophenyl)-2-furanyl]-6-ethyl-4-quinolinecarboxylate IUPAC Name: 2-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-6-ethylquinoline-4-carboxylate Traditional Name: 2-[5-(4-bromo-3-chloro-phenyl)-2-furyl]-6-ethyl-cinchoninate Formula: C22H14BrClNO3- MolecularWeight: 455.70846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC(=C(C=C4)Br)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC(=C(C=C4)Br)Cl

InChI

InChI=1S/C22H15BrClNO3/c1-2-12-3-6-18-14(9-12)15(22(26)27)11-19(25-18)21-8-7-20(28-21)13-4-5-16(23)17(24)10-13/h3-11H,2H2,1H3,(H,26,27)/p-1