2-[[(3-ethoxycarbonyl-8-fluoranyl-6-iodanyl-4-oxidanylidene-quinolin-1-yl)-methyl-amino]methyl]propanedioic acid

Systemtic Name: 2-[[(3-ethoxycarbonyl-8-fluoranyl-6-iodanyl-4-oxidanylidene-quinolin-1-yl)-methyl-amino]methyl]propanedioic acid Openeye Name: 2-[[(3-ethoxycarbonyl-8-fluoro-6-iodo-4-oxo-1-quinolyl)-methyl-amino]methyl]propanedioic acid CAS Name: 2-[[(3-ethoxycarbonyl-8-fluoro-6-iodo-4-oxo-1-quinolinyl)-methylamino]methyl]propanedioic acid IUPAC Name: 2-[[(3-ethoxycarbonyl-8-fluoro-6-iodo-4-oxoquinolin-1-yl)-methylamino]methyl]propanedioic acid Traditional Name: 2-[[(3-carbethoxy-8-fluoro-6-iodo-4-keto-1-quinolyl)-methyl-amino]methyl]malonic acid Formula: C17H16FIN2O7 MolecularWeight: 506.221013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C=C(C=C2C1=O)I)F)N(C)CC(C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C=C(C=C2C1=O)I)F)N(C)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C17H16FIN2O7/c1-3-28-17(27)10-7-21(20(2)6-11(15(23)24)16(25)26)13-9(14(10)22)4-8(19)5-12(13)18/h4-5,7,11H,3,6H2,1-2H3,(H,23,24)(H,25,26)