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

Systemtic Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-isobutyl-5-oxo-pyrrol-2-olate CAS Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-4-pyrazolylidene]-3-(4-ethyl-1-pyridin-1-iumyl)-1-(2-methylpropyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-5-oxopyrrol-2-olate Traditional Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-keto-2-pyrazolin-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-isobutyl-5-keto-2-pyrrolin-2-olate Formula: C26H27FN4O3 MolecularWeight: 462.515983

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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)CC(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)CC(C)C)[O-]

InChI

InChI=1S/C26H27FN4O3/c1-5-17-11-13-29(14-12-17)23-22(24(32)30(26(23)34)15-16(3)4)21-20(6-2)28-31(25(21)33)19-9-7-18(27)8-10-19/h7-14,16H,5-6,15H2,1-4H3