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

Systemtic Name: potassium 1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxycarbonylphenyl)methyl]-4-oxidanylidene-quinoline-2-carboxylate Openeye Name: potassium 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxycarbonylphenyl)methyl]-4-oxo-quinoline-2-carboxylate CAS Name: potassium 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxycarbonylphenyl)methyl]-4-oxo-2-quinolinecarboxylate IUPAC Name: potassium 1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxycarbonylphenyl)methyl]-4-oxoquinoline-2-carboxylate Traditional Name: potassium 3-(3-carbomethoxybenzyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-keto-quinaldate Formula: C27H19ClKNO7 MolecularWeight: 543.99356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4Cl)OCO5)C(=O)[O-].[K+]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC2=C(N(C3=CC=CC=C3C2=O)CC4=CC5=C(C=C4Cl)OCO5)C(=O)[O-].[K+]

InChI

InChI=1S/C27H20ClNO7.K/c1-34-27(33)16-6-4-5-15(9-16)10-19-24(26(31)32)29(21-8-3-2-7-18(21)25(19)30)13-17-11-22-23(12-20(17)28)36-14-35-22;/h2-9,11-12H,10,13-14H2,1H3,(H,31,32);/q;+1/p-1