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

Systemtic Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-(phenylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 1-benzyl-4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxo-4-pyrazolylidene]-5-oxo-1-(phenylmethyl)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 1-benzyl-4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 1-benzyl-4-[3-ethyl-1-(4-fluorophenyl)-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H21FN4O3 MolecularWeight: 468.479043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=CC=C3)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H21FN4O3/c1-2-21-22(26(34)32(29-21)20-13-11-19(28)12-14-20)23-24(30-15-7-4-8-16-30)27(35)31(25(23)33)17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3