(4E)-4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-4-[1-(4-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(4-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-5-oxo-1-(p-tolyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-1-(4-methylphenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(4-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-1-(p-tolyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H23ClN4O3 MolecularWeight: 498.96022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C)C2=O)[N+]5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(/C(=C\3/C(=NN(C3=O)C4=CC=C(C=C4)Cl)C(C)C)/C2=O)[N+]5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H23ClN4O3/c1-17(2)24-22(27(35)33(30-24)21-13-9-19(29)10-14-21)23-25(31-15-5-4-6-16-31)28(36)32(26(23)34)20-11-7-18(3)8-12-20/h4-17H,1-3H3