4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-fluorophenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=C3C(=C(N(C3=O)C4=CC=C(C=C4)F)[O-])[N+]5=CC=CC=C5)C(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=C3C(=C(N(C3=O)C4=CC=C(C=C4)F)[O-])[N+]5=CC=CC=C5)C(=N2)C)C

InChI

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