(4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate

Systemtic Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate Openeye Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-pyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-4-pyrazolylidene]-3-(3-ethyl-1-pyridin-1-iumyl)-5-oxo-1-propyl-2-pyrrololate IUPAC Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-1-propylpyrrol-2-olate Traditional Name: (4E)-4-[3-ethyl-1-(4-fluorophenyl)-5-keto-2-pyrazolin-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-keto-1-propyl-2-pyrrolin-2-olate Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC=C(C=C3)F)CC)C1=O)[N+]4=CC=CC(=C4)CC)[O-]

Isomeric SMILES

CCCN1C(=C(/C(=C\2/C(=NN(C2=O)C3=CC=C(C=C3)F)CC)/C1=O)[N+]4=CC=CC(=C4)CC)[O-]

InChI

InChI=1S/C25H25FN4O3/c1-4-13-29-23(31)21(22(25(29)33)28-14-7-8-16(5-2)15-28)20-19(6-3)27-30(24(20)32)18-11-9-17(26)10-12-18/h7-12,14-15H,4-6,13H2,1-3H3