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

Systemtic Name: 4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(3-methylphenyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-1-(m-tolyl)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]-1-(3-methylphenyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]-1-(3-methylphenyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(2,4-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-1-(m-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(=CC=C1)N2C(=C(C(=C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C)C2=O)[N+]5=CC=CC=C5)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H24N4O3/c1-17-9-8-10-21(16-17)31-26(33)24(25(28(31)35)30-13-6-5-7-14-30)23-20(4)29-32(27(23)34)22-12-11-18(2)15-19(22)3/h5-16H,1-4H3