potassium 3-[(4-bromophenyl)methyl]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-quinoline-2-carboxylate

Systemtic Name: potassium 3-[(4-bromophenyl)methyl]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-quinoline-2-carboxylate Openeye Name: potassium 3-[(4-bromophenyl)methyl]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-quinoline-2-carboxylate CAS Name: potassium 3-[(4-bromophenyl)methyl]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-quinolinecarboxylate IUPAC Name: potassium 3-[(4-bromophenyl)methyl]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxoquinoline-2-carboxylate Traditional Name: potassium 3-(4-bromobenzyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-keto-quinaldate Formula: C25H16BrClKNO5 MolecularWeight: 564.85354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=O)C(=C3C(=O)[O-])CC5=CC=C(C=C5)Br)Cl.[K+]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=O)C(=C3C(=O)[O-])CC5=CC=C(C=C5)Br)Cl.[K+]

InChI

InChI=1S/C25H17BrClNO5.K/c26-16-7-5-14(6-8-16)9-18-23(25(30)31)28(20-4-2-1-3-17(20)24(18)29)12-15-10-21-22(11-19(15)27)33-13-32-21;/h1-8,10-11H,9,12-13H2,(H,30,31);/q;+1/p-1