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

Systemtic Name: (4E)-1-(4-methylphenyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-1-(p-tolyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-(4-methylphenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-(4-methylphenyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-1-(p-tolyl)-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H24N4O3 MolecularWeight: 464.51516

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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)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=CC=C4)C(C)C)/C2=O)[N+]5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H24N4O3/c1-18(2)24-22(27(34)32(29-24)21-10-6-4-7-11-21)23-25(30-16-8-5-9-17-30)28(35)31(26(23)33)20-14-12-19(3)13-15-20/h4-18H,1-3H3