3-[2-fluoranyl-5-(trifluoromethyl)phenyl]-5-oxidanylidene-1H-cinnoline-7-carboxylic acid

Systemtic Name: 3-[2-fluoranyl-5-(trifluoromethyl)phenyl]-5-oxidanylidene-1H-cinnoline-7-carboxylic acid Openeye Name: 3-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxo-1H-cinnoline-7-carboxylic acid CAS Name: 3-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxo-1H-cinnoline-7-carboxylic acid IUPAC Name: 3-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxo-1H-cinnoline-7-carboxylic acid Traditional Name: 3-[2-fluoro-5-(trifluoromethyl)phenyl]-5-keto-1H-cinnoline-7-carboxylic acid Formula: C16H8F4N2O3 MolecularWeight: 352.239933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)C2=NNC3=CC(=CC(=O)C3=C2)C(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)C2=NNC3=CC(=CC(=O)C3=C2)C(=O)O)F

InChI

InChI=1S/C16H8F4N2O3/c17-11-2-1-8(16(18,19)20)5-9(11)13-6-10-12(21-22-13)3-7(15(24)25)4-14(10)23/h1-6,21H,(H,24,25)