4-[1-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-fluorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-fluorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-1-(4-fluorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-1-(4-fluorophenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-1-(4-fluorophenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(4-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-1-(4-fluorophenyl)-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C27H20ClFN4O3 MolecularWeight: 502.924103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)F)[O-])[N+]4=CC=CC(=C4)C)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=C(C=C3)F)[O-])[N+]4=CC=CC(=C4)C)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H20ClFN4O3/c1-3-21-22(26(35)33(30-21)20-10-6-17(28)7-11-20)23-24(31-14-4-5-16(2)15-31)27(36)32(25(23)34)19-12-8-18(29)9-13-19/h4-15H,3H2,1-2H3