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

Systemtic Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: (4E)-3-(3-ethyl-1-pyridin-1-iumyl)-1-(4-fluorophenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: (4E)-3-(3-ethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-2-pyrrolin-2-olate Formula: C29H25FN4O3 MolecularWeight: 496.532203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C[N+](=CC=C1)C\2=C(N(C(=O)/C2=C/3\C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC=C(C=C5)F)[O-]

InChI

InChI=1S/C29H25FN4O3/c1-4-19-9-8-16-32(17-19)26-24(27(35)33(29(26)37)21-14-12-20(30)13-15-21)23-25(18(2)3)31-34(28(23)36)22-10-6-5-7-11-22/h5-18H,4H2,1-3H3