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

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-1-[(4-fluorophenyl)methyl]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-1-[(4-fluorophenyl)methyl]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-1-[(4-fluorophenyl)methyl]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-1-[(4-fluorophenyl)methyl]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-1-(4-fluorobenzyl)-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H22ClFN4O3 MolecularWeight: 516.950683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H22ClFN4O3/c1-2-7-22-23(27(36)34(31-22)21-9-6-8-19(29)16-21)24-25(32-14-4-3-5-15-32)28(37)33(26(24)35)17-18-10-12-20(30)13-11-18/h3-6,8-16H,2,7,17H2,1H3