3-(3-ethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-1-phenyl-pyrrol-2-olate

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-1-phenyl-pyrrol-2-olate Openeye Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-5-oxo-1-phenyl-pyrrol-2-olate CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-5-oxo-1-phenyl-2-pyrrololate IUPAC Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-5-oxo-1-phenylpyrrol-2-olate Traditional Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-1-phenyl-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=CC=C3)[O-])[N+]4=CC=CC(=C4)CC)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

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