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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20ClFN4O3/c1-16(2)23-21(26(35)33(30-23)20-10-6-17(28)7-11-20)22-24(31-14-4-3-5-15-31)27(36)32(25(22)34)19-12-8-18(29)9-13-19/h3-16H,1-2H3