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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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

InChI

InChI=1S/C26H19FN4O3/c1-17-21(25(33)31(28-17)20-8-4-2-5-9-20)22-23(29-14-6-3-7-15-29)26(34)30(24(22)32)16-18-10-12-19(27)13-11-18/h2-15H,16H2,1H3