4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate

Systemtic Name: 4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxidanylidene-prop-1-enyl]-2-nitro-phenolate Openeye Name: 4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxo-prop-1-enyl]-2-nitro-phenolate CAS Name: 4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxoprop-1-enyl]-2-nitrophenolate IUPAC Name: 4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxoprop-1-enyl]-2-nitrophenolate Traditional Name: 4-[(E)-2-cyano-3-(2-fluorophenyl)-3-keto-prop-1-enyl]-2-nitro-phenolate Formula: C16H8FN2O4- MolecularWeight: 311.244123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C#N)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)/C(=C/C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C#N)F

InChI

InChI=1S/C16H9FN2O4/c17-13-4-2-1-3-12(13)16(21)11(9-18)7-10-5-6-15(20)14(8-10)19(22)23/h1-8,20H/p-1/b11-7+