4-[(3E)-3-(4-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[(3E)-3-(4-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[(3E)-3-(4-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[(3E)-3-(4-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[(3E)-3-(4-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[(5E)-5-(4-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-1-yl]benzoic acid Formula: C16H11FN2O3 MolecularWeight: 298.268543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=C3C=CC(=CC3=O)F)C=CN2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2/C(=C/3\C=CC(=CC3=O)F)/C=CN2

InChI

InChI=1S/C16H11FN2O3/c17-11-3-6-13(15(20)9-11)14-7-8-18-19(14)12-4-1-10(2-5-12)16(21)22/h1-9,18H,(H,21,22)/b14-13+