4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(3,4-dimethylpyridin-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-(3,4-dimethylpyridin-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-(3,4-dimethylpyridin-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-(3,4-dimethyl-1-pyridin-1-iumyl)-5-oxo-1-phenyl-2-pyrrololate IUPAC Name: 4-[1-(2,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]-3-(3,4-dimethylpyridin-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-(3,4-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=CC(=C(C=C1)N2C(=O)C(=C3C(=C(N(C3=O)C4=CC=CC=C4)[O-])[N+]5=CC(=C(C=C5)C)C)C(=N2)C)C

Isomeric SMILES

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

InChI

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