6-chloranyl-2-[[3-[4-(5-iodanylpyridin-2-yl)oxyphenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid

Systemtic Name: 6-chloranyl-2-[[3-[4-(5-iodanylpyridin-2-yl)oxyphenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]quinoline-3-carboxylic acid Openeye Name: 6-chloro-2-[[2-hydroxy-1-[[4-[(5-iodo-2-pyridyl)oxy]phenyl]methyl]-2-oxo-ethyl]amino]quinoline-3-carboxylic acid CAS Name: 6-chloro-2-[[1-hydroxy-3-[4-[(5-iodo-2-pyridinyl)oxy]phenyl]-1-oxopropan-2-yl]amino]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[[1-hydroxy-3-[4-(5-iodopyridin-2-yl)oxyphenyl]-1-oxopropan-2-yl]amino]quinoline-3-carboxylic acid Traditional Name: 6-chloro-2-[[2-hydroxy-1-[4-[(5-iodo-2-pyridyl)oxy]benzyl]-2-keto-ethyl]amino]quinoline-3-carboxylic acid Formula: C24H17ClIN3O5 MolecularWeight: 589.76635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)OC4=NC=C(C=C4)I

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC2=C(C=C3C=C(C=CC3=N2)Cl)C(=O)O)OC4=NC=C(C=C4)I

InChI

InChI=1S/C24H17ClIN3O5/c25-15-3-7-19-14(10-15)11-18(23(30)31)22(28-19)29-20(24(32)33)9-13-1-5-17(6-2-13)34-21-8-4-16(26)12-27-21/h1-8,10-12,20H,9H2,(H,28,29)(H,30,31)(H,32,33)