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

Systemtic Name: 4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-5-oxo-1-(2-oxolanylmethyl)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-5-oxo-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C26H25FN4O4 MolecularWeight: 476.499503

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3CCCO3)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3CCCO3)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H25FN4O4/c1-2-7-20-21(25(33)31(28-20)18-11-9-17(27)10-12-18)22-23(29-13-4-3-5-14-29)26(34)30(24(22)32)16-19-8-6-15-35-19/h3-5,9-14,19H,2,6-8,15-16H2,1H3