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

Systemtic Name: 4-[(3E)-3-(4-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzenecarbonitrile Openeye Name: 4-[(3E)-3-(4-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile CAS Name: 4-[(3E)-3-(4-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]benzonitrile IUPAC Name: 4-[(3E)-3-(4-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile Traditional Name: 4-[(5E)-5-(4-fluoro-6-keto-cyclohexa-2,4-dien-1-ylidene)-3-pyrazolin-1-yl]benzonitrile Formula: C16H10FN3O MolecularWeight: 279.268503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10FN3O/c17-12-3-6-14(16(21)9-12)15-7-8-19-20(15)13-4-1-11(10-18)2-5-13/h1-9,19H/b15-14+