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

Systemtic Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-phenyl-pyrrol-2-olate Openeye Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-phenyl-pyrrol-2-olate CAS Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-1-phenyl-2-pyrrololate IUPAC Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-phenylpyrrol-2-olate Traditional Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-1-phenyl-2-pyrrolin-2-olate Formula: C27H21FN4O3 MolecularWeight: 468.479043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3=CC=CC=C3)[O-])[N+]4=CC=CC(=C4)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H21FN4O3/c1-3-21-22(26(34)32(29-21)20-13-11-18(28)12-14-20)23-24(30-15-7-8-17(2)16-30)27(35)31(25(23)33)19-9-5-4-6-10-19/h4-16H,3H2,1-2H3