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

Systemtic Name: 4-[1-(2,3-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(2,3-dimethylphenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(2,3-dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]-1-(4-methoxyphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(2,3-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(2,3-dimethylphenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC(=C4C)C)C)C5=CC=C(C=C5)OC)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC(=C4C)C)C)C5=CC=C(C=C5)OC)[O-]

InChI

InChI=1S/C29H26N4O4/c1-17-8-7-15-31(16-17)26-25(27(34)32(29(26)36)21-11-13-22(37-5)14-12-21)24-20(4)30-33(28(24)35)23-10-6-9-18(2)19(23)3/h6-16H,1-5H3