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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=C(C=C(C=C4)C)C)C)C5=CC=CC=C5)[O-]

InChI

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