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

Systemtic Name: (4E)-1-[(4-fluorophenyl)methyl]-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-[(4-fluorophenyl)methyl]-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-[(4-fluorophenyl)methyl]-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-[(4-fluorophenyl)methyl]-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-(4-fluorobenzyl)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H23FN4O3 MolecularWeight: 482.505623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

Isomeric SMILES

CC(C)C\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

InChI

InChI=1S/C28H23FN4O3/c1-18(2)24-22(27(35)33(30-24)21-9-5-3-6-10-21)23-25(31-15-7-4-8-16-31)28(36)32(26(23)34)17-19-11-13-20(29)14-12-19/h3-16,18H,17H2,1-2H3