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

Systemtic Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-fluorophenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-1-(4-fluorophenyl)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-1-(4-fluorophenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-1-(4-fluorophenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-1-(4-fluorophenyl)-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C26H18ClFN4O3 MolecularWeight: 488.897523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H18ClFN4O3/c1-2-20-21(25(34)32(29-20)19-10-6-16(27)7-11-19)22-23(30-14-4-3-5-15-30)26(35)31(24(22)33)18-12-8-17(28)9-13-18/h3-15H,2H2,1H3