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

Systemtic Name: (4E)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-(2-methoxyethyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(4-fluorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-1-(2-methoxyethyl)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-1-(2-methoxyethyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-1-(2-methoxyethyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(4-fluorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-(2-methoxyethyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C24H23FN4O4 MolecularWeight: 450.462223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=O)C1=C2C(=C(N(C2=O)CCOC)[O-])[N+]3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)C\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CCOC)[O-])[N+]3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4O4/c1-15(2)20-18(23(31)29(26-20)17-9-7-16(25)8-10-17)19-21(27-11-5-4-6-12-27)24(32)28(22(19)30)13-14-33-3/h4-12,15H,13-14H2,1-3H3