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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)F)[O-]

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5=CC=C(C=C5)F)[O-]

InChI

InChI=1S/C27H21FN4O3/c1-3-18-13-15-30(16-14-18)24-23(25(33)31(27(24)35)20-11-9-19(28)10-12-20)22-17(2)29-32(26(22)34)21-7-5-4-6-8-21/h4-16H,3H2,1-2H3