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

Systemtic Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-phenyl-pyrrol-2-olate Openeye Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-1-phenyl-pyrrol-2-olate CAS Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-1-phenyl-2-pyrrololate IUPAC Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-1-phenylpyrrol-2-olate Traditional Name: 4-[1-(2,4-dimethylphenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(4-methylpyridin-1-ium-1-yl)-1-phenyl-2-pyrrolin-2-olate Formula: C29H26N4O3 MolecularWeight: 478.54174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC=C3)[O-])[N+]4=CC=C(C=C4)C)C5=C(C=C(C=C5)C)C

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC=C3)[O-])[N+]4=CC=C(C=C4)C)C5=C(C=C(C=C5)C)C

InChI

InChI=1S/C29H26N4O3/c1-5-22-24(28(35)33(30-22)23-12-11-19(3)17-20(23)4)25-26(31-15-13-18(2)14-16-31)29(36)32(27(25)34)21-9-7-6-8-10-21/h6-17H,5H2,1-4H3