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

Systemtic Name: potassium 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-3-(phenylmethyl)quinoline-2-carboxylate Openeye Name: potassium 3-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-quinoline-2-carboxylate CAS Name: potassium 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-3-(phenylmethyl)-2-quinolinecarboxylate IUPAC Name: potassium 3-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxoquinoline-2-carboxylate Traditional Name: potassium 3-benzyl-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-keto-quinaldate Formula: C25H17ClKNO5 MolecularWeight: 485.95748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18ClNO5.K/c26-19-12-22-21(31-14-32-22)11-16(19)13-27-20-9-5-4-8-17(20)24(28)18(23(27)25(29)30)10-15-6-2-1-3-7-15;/h1-9,11-12H,10,13-14H2,(H,29,30);/q;+1/p-1