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

Systemtic Name: 4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-2-olate Openeye Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-1-(2-oxolanylmethyl)-2-pyrrololate IUPAC Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrol-2-olate Traditional Name: 4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C27H27FN4O4 MolecularWeight: 490.526083

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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)C)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)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H27FN4O4/c1-3-6-21-22(26(34)32(29-21)19-11-9-18(28)10-12-19)23-24(30-13-4-7-17(2)15-30)27(35)31(25(23)33)16-20-8-5-14-36-20/h4,7,9-13,15,20H,3,5-6,8,14,16H2,1-2H3