(4E)-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H20F2N4O3 MolecularWeight: 486.469506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC=C3F)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3=CC=CC=C3F)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H20F2N4O3/c1-2-8-20-22(26(35)33(30-20)18-13-11-17(28)12-14-18)23-24(31-15-6-3-7-16-31)27(36)32(25(23)34)21-10-5-4-9-19(21)29/h3-7,9-16H,2,8H2,1H3