1-(4-fluorophenyl)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 1-(4-fluorophenyl)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 1-(4-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-(4-fluorophenyl)-5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C26H19FN4O3 MolecularWeight: 454.452463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=C(C=C5)F)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=C(C=C5)F)[O-]

InChI

InChI=1S/C26H19FN4O3/c1-16-7-6-14-30(15-16)23-21(25(33)31(26(23)34)19-12-10-18(27)11-13-19)20-22(28-29(2)24(20)32)17-8-4-3-5-9-17/h3-15H,1-2H3