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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=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

CCCC\1=NN(C(=O)/C1=C/2\C(=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/C28H23FN4O4/c1-3-7-22-23(27(35)33(30-22)20-10-8-18(29)9-11-20)24-25(31-16-5-4-6-17-31)28(36)32(26(24)34)19-12-14-21(37-2)15-13-19/h4-6,8-17H,3,7H2,1-2H3