1-[[2,6-bis(fluoranyl)phenyl]methyl]-6-fluoranyl-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-6-fluoranyl-5-nitro-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[(2,6-difluorophenyl)methyl]-6-fluoro-5-nitro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[(2,6-difluorophenyl)methyl]-6-fluoro-5-nitro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[(2,6-difluorophenyl)methyl]-6-fluoro-5-nitro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,6-difluorobenzyl)-6-fluoro-4-keto-5-nitro-quinoline-3-carboxylic acid Formula: C17H9F3N2O5 MolecularWeight: 378.25897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)CN2C=C(C(=O)C3=C2C=CC(=C3[N+](=O)[O-])F)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)CN2C=C(C(=O)C3=C2C=CC(=C3[N+](=O)[O-])F)C(=O)O)F

InChI

InChI=1S/C17H9F3N2O5/c18-10-2-1-3-11(19)8(10)6-21-7-9(17(24)25)16(23)14-13(21)5-4-12(20)15(14)22(26)27/h1-5,7H,6H2,(H,24,25)