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

Systemtic Name: 3-[(3E)-3-(4-fluoranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzenecarbonitrile Openeye Name: 3-[(3E)-3-(4-fluoro-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile CAS Name: 3-[(3E)-3-(4-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrazol-2-yl]benzonitrile IUPAC Name: 3-[(3E)-3-(4-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrazol-2-yl]benzonitrile Traditional Name: 3-[(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(=C1)N2C(=C3C=CC(=CC3=O)F)C=CN2)C#N

Isomeric SMILES

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

InChI

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