3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate

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

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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)C)C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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