1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,7,8-trifluoro-4-keto-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinoline-3-carboxylic acid Formula: C21H14F3N3O4 MolecularWeight: 429.34877

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)F)F)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C=C(C(=O)C4=CC(=C(C(=C43)F)F)F)C(=O)O

InChI

InChI=1S/C21H14F3N3O4/c1-10-17(20(29)27(25(10)2)11-6-4-3-5-7-11)26-9-13(21(30)31)19(28)12-8-14(22)15(23)16(24)18(12)26/h3-9H,1-2H3,(H,30,31)