4-[3-ethyl-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-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-(3-methylphenyl)-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-(m-tolyl)-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-(3-methylphenyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[3-ethyl-1-(4-fluorophenyl)-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-1-(3-methylphenyl)-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)-5-keto-1-(m-tolyl)-2-pyrrolin-2-olate Formula: C29H25FN4O3 MolecularWeight: 496.532203

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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)C5=CC=CC(=C5)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)C5=CC=CC(=C5)C)[O-]

InChI

InChI=1S/C29H25FN4O3/c1-4-19-13-15-32(16-14-19)26-25(27(35)33(29(26)37)22-8-6-7-18(3)17-22)24-23(5-2)31-34(28(24)36)21-11-9-20(30)10-12-21/h6-17H,4-5H2,1-3H3