5,8-bis(fluoranyl)-1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5,8-bis(fluoranyl)-1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5,8-difluoro-1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5,8-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5,8-difluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5,8-difluoro-1-(3-fluoro-4-methoxy-benzyl)-4-keto-quinoline-3-carboxylic acid Formula: C18H12F3NO4 MolecularWeight: 363.28739

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=C(C(=O)C3=C(C=CC(=C32)F)F)C(=O)O)F

InChI

InChI=1S/C18H12F3NO4/c1-26-14-5-2-9(6-13(14)21)7-22-8-10(18(24)25)17(23)15-11(19)3-4-12(20)16(15)22/h2-6,8H,7H2,1H3,(H,24,25)