potassium 1-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinoline-2-carboxylate

Systemtic Name: potassium 1-[(7-bromanyl-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-quinoline-2-carboxylate Openeye Name: potassium 1-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-quinoline-2-carboxylate CAS Name: potassium 1-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxo-2-quinolinecarboxylate IUPAC Name: potassium 1-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-3-[(4-methoxyphenyl)methyl]-4-oxoquinoline-2-carboxylate Traditional Name: potassium 1-[(7-bromo-1,3-benzodioxol-5-yl)methyl]-4-keto-3-p-anisyl-quinaldate Formula: C26H19BrKNO6 MolecularWeight: 560.43446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C(=C4)Br)OCO5)C(=O)[O-].[K+]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C(=C4)Br)OCO5)C(=O)[O-].[K+]

InChI

InChI=1S/C26H20BrNO6.K/c1-32-17-8-6-15(7-9-17)10-19-23(26(30)31)28(21-5-3-2-4-18(21)24(19)29)13-16-11-20(27)25-22(12-16)33-14-34-25;/h2-9,11-12H,10,13-14H2,1H3,(H,30,31);/q;+1/p-1