4-[1-(2,4-dimethylphenyl)-3-ethyl-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-ethyl-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-ethyl-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-ethyl-5-oxo-4-pyrazolylidene]-1-(4-fluorophenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-1-(4-fluorophenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-1-(4-fluorophenyl)-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H23FN4O3 MolecularWeight: 482.505623

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C28H23FN4O3/c1-4-21-23(27(35)33(30-21)22-13-8-17(2)16-18(22)3)24-25(31-14-6-5-7-15-31)28(36)32(26(24)34)20-11-9-19(29)10-12-20/h5-16H,4H2,1-3H3