potassium 6-bromanyl-2-(3-ethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: potassium 6-bromanyl-2-(3-ethoxyphenyl)quinoline-4-carboxylate Openeye Name: potassium 6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxylate CAS Name: potassium 6-bromo-2-(3-ethoxyphenyl)-4-quinolinecarboxylate IUPAC Name: potassium 6-bromo-2-(3-ethoxyphenyl)quinoline-4-carboxylate Traditional Name: potassium 6-bromo-2-m-phenetyl-cinchoninate Formula: C18H13BrKNO3 MolecularWeight: 410.30302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+]

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-].[K+]

InChI

InChI=1S/C18H14BrNO3.K/c1-2-23-13-5-3-4-11(8-13)17-10-15(18(21)22)14-9-12(19)6-7-16(14)20-17;/h3-10H,2H2,1H3,(H,21,22);/q;+1/p-1