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

Systemtic Name: 1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-(2-fluorophenyl)-4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C28H22F2N4O3 MolecularWeight: 500.496086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC=C3F)[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)C3=CC=CC=C3F)[O-])[N+]4=CC=CC(=C4)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H22F2N4O3/c1-3-7-21-23(27(36)34(31-21)19-13-11-18(29)12-14-19)24-25(32-15-6-8-17(2)16-32)28(37)33(26(24)35)22-10-5-4-9-20(22)30/h4-6,8-16H,3,7H2,1-2H3