3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-(3-methylphenyl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-1-(3-methylphenyl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-1-(m-tolyl)-5-oxo-pyrrol-2-olate CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-1-(3-methylphenyl)-5-oxo-2-pyrrololate IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-1-(3-methylphenyl)-5-oxopyrrol-2-olate Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-1-(m-tolyl)-2-pyrrolin-2-olate Formula: C29H26N4O3 MolecularWeight: 478.54174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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