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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O4/c1-5-22-24(28(35)33(30-22)23-14-9-18(2)17-19(23)3)25-26(31-15-7-6-8-16-31)29(36)32(27(25)34)20-10-12-21(37-4)13-11-20/h6-17H,5H2,1-4H3