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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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