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

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

Click to see the large picture

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=C(C=C4)C)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=C(C=C4)C)C5=CC=C(C=C5)F

InChI

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