3-[3-[[1-(3-fluorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid

Systemtic Name: 3-[3-[[1-(3-fluorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid Openeye Name: 3-[3-[[1-(3-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]benzoic acid CAS Name: 3-[3-[[1-(3-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]phenyl]benzoic acid IUPAC Name: 3-[3-[[1-(3-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid Traditional Name: 3-[3-[[1-(3-fluorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]phenyl]benzoic acid Formula: C23H17FN4O3 MolecularWeight: 416.404483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C3=CC(=CC=C3)C(=O)O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H17FN4O3/c1-14-21(22(29)28(27-14)20-10-4-8-18(24)13-20)26-25-19-9-3-6-16(12-19)15-5-2-7-17(11-15)23(30)31/h2-13,21H,1H3,(H,30,31)