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

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(1-methyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(1-methyl-5-oxo-3-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-1-(2-fluorophenyl)-4-(1-methyl-5-oxo-3-phenyl-4-pyrazolylidene)-5-oxo-2-pyrrololate IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(1-methyl-5-oxo-3-phenylpyrazol-4-ylidene)-5-oxopyrrol-2-olate Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-5-keto-4-(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-ylidene)-2-pyrrolin-2-olate Formula: C27H21FN4O3 MolecularWeight: 468.479043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=CC=C5F)[O-])C

Isomeric SMILES

CC1=C(C=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=CC=C5F)[O-])C

InChI

InChI=1S/C27H21FN4O3/c1-16-13-14-31(15-17(16)2)24-22(26(34)32(27(24)35)20-12-8-7-11-19(20)28)21-23(29-30(3)25(21)33)18-9-5-4-6-10-18/h4-15H,1-3H3