1-(1,3-benzodioxol-5-yl)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H21FN4O5 MolecularWeight: 512.488543

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC=C5)C6=CC=C(C=C6)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC4=C(C=C3)OCO4)[O-])[N+]5=CC=CC=C5)C6=CC=C(C=C6)F

InChI

InChI=1S/C28H21FN4O5/c1-2-6-20-23(27(35)33(30-20)18-9-7-17(29)8-10-18)24-25(31-13-4-3-5-14-31)28(36)32(26(24)34)19-11-12-21-22(15-19)38-16-37-21/h3-5,7-15H,2,6,16H2,1H3