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

Systemtic Name: 4-[1-(2,4-dimethylphenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-1-(4-fluorophenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-1-(4-fluorophenyl)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-4-pyrazolylidene]-1-(4-fluorophenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(2,4-dimethylphenyl)-5-oxo-3-propylpyrazol-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-propyl-2-pyrazolin-4-ylidene]-1-(4-fluorophenyl)-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C29H25FN4O3 MolecularWeight: 496.532203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4)C5=C(C=C(C=C5)C)C

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4)C5=C(C=C(C=C5)C)C

InChI

InChI=1S/C29H25FN4O3/c1-4-8-22-24(28(36)34(31-22)23-14-9-18(2)17-19(23)3)25-26(32-15-6-5-7-16-32)29(37)33(27(25)35)21-12-10-20(30)11-13-21/h5-7,9-17H,4,8H2,1-3H3