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

Systemtic Name: 4-[[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-[[1-(4-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 4-[[1-(4-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 4-[[1-(4-fluorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-[[1-(4-fluorophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C17H13FN4O3 MolecularWeight: 340.308523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13FN4O3/c1-10-15(20-19-13-6-2-11(3-7-13)17(24)25)16(23)22(21-10)14-8-4-12(18)5-9-14/h2-9,15H,1H3,(H,24,25)