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

Systemtic Name: 5-fluoranyl-1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-fluoro-1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-fluoro-1-[(3-fluoro-4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-fluoro-1-(3-fluoro-4-methoxy-benzyl)-4-keto-quinoline-3-carboxylic acid Formula: C18H13F2NO4 MolecularWeight: 345.296926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=C(C(=O)C3=C2C=CC=C3F)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=C(C(=O)C3=C2C=CC=C3F)C(=O)O)F

InChI

InChI=1S/C18H13F2NO4/c1-25-15-6-5-10(7-13(15)20)8-21-9-11(18(23)24)17(22)16-12(19)3-2-4-14(16)21/h2-7,9H,8H2,1H3,(H,23,24)