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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C(=C3C(=C(N(C3=O)C4=CC=CC=C4)[O-])[N+]5=CC(=CC(=C5)C)C)C(=N2)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C(=C3C(=C(N(C3=O)C4=CC=CC=C4)[O-])[N+]5=CC(=CC(=C5)C)C)C(=N2)C)C

InChI

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