2-[[1-[(3-cyanophenyl)methyl]-6-fluoranyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-[(3-cyanophenyl)methyl]-6-fluoranyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-[(3-cyanophenyl)methyl]-6-fluoro-2-hydroxy-4-oxo-quinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-[(3-cyanophenyl)methyl]-6-fluoro-2-hydroxy-4-oxo-3-quinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-[(3-cyanophenyl)methyl]-6-fluoro-2-hydroxy-4-oxoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(3-cyanobenzyl)-6-fluoro-2-hydroxy-4-keto-quinoline-3-carbonyl]amino]acetic acid Formula: C20H14FN3O5 MolecularWeight: 395.340663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)F)C(=O)C(=C2O)C(=O)NCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)F)C(=O)C(=C2O)C(=O)NCC(=O)O)C#N

InChI

InChI=1S/C20H14FN3O5/c21-13-4-5-15-14(7-13)18(27)17(19(28)23-9-16(25)26)20(29)24(15)10-12-3-1-2-11(6-12)8-22/h1-7,29H,9-10H2,(H,23,28)(H,25,26)