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

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-5-oxo-1-(p-tolyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-1-(4-methylphenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-1-(4-methylphenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-1-(p-tolyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C26H19ClN4O3 MolecularWeight: 470.90706

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H19ClN4O3/c1-16-9-11-19(12-10-16)30-24(32)22(23(26(30)34)29-13-4-3-5-14-29)21-17(2)28-31(25(21)33)20-8-6-7-18(27)15-20/h3-15H,1-2H3