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

Systemtic Name: 4-[(4E)-4-[(4-fluorophenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 4-[(4E)-4-[(4-fluorophenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 4-[(4E)-4-[(4-fluorophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 4-[(4E)-4-[(4-fluorophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 4-[(4E)-4-(4-fluorobenzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]benzoic acid Formula: C18H13FN2O3 MolecularWeight: 324.305823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H13FN2O3/c1-11-16(10-12-2-6-14(19)7-3-12)17(22)21(20-11)15-8-4-13(5-9-15)18(23)24/h2-10H,1H3,(H,23,24)/b16-10+