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

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxo-pyrrol-2-olate CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-4-[1-(4-fluorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-1-(4-methoxyphenyl)-5-oxo-2-pyrrololate IUPAC Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-1-(4-methoxyphenyl)-5-oxopyrrol-2-olate Traditional Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-1-(4-methoxyphenyl)-2-pyrrolin-2-olate Formula: C28H23FN4O4 MolecularWeight: 498.505023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C)C5=CC=C(C=C5)OC)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C)C5=CC=C(C=C5)OC)[O-]

InChI

InChI=1S/C28H23FN4O4/c1-4-18-6-5-15-31(16-18)25-24(26(34)32(28(25)36)20-11-13-22(37-3)14-12-20)23-17(2)30-33(27(23)35)21-9-7-19(29)8-10-21/h5-16H,4H2,1-3H3