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

Systemtic Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-4-pyrazolylidene]-1-(4-methoxyphenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-(4-methoxyphenyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H21FN4O4 MolecularWeight: 484.478443

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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)OC)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H21FN4O4/c1-3-21-22(26(34)32(29-21)19-9-7-17(28)8-10-19)23-24(30-15-5-4-6-16-30)27(35)31(25(23)33)18-11-13-20(36-2)14-12-18/h4-16H,3H2,1-2H3