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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)pyrrol-2-olate CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(2-methoxyethyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-2-pyrrololate IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-methoxyethyl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)pyrrol-2-olate Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-1-(2-methoxyethyl)-2-pyrrolin-2-olate Formula: C26H28N4O4 MolecularWeight: 460.52492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CCOC)[O-])[N+]3=CC(=CC(=C3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CCOC)[O-])[N+]3=CC(=CC(=C3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c1-5-9-20-21(25(32)30(27-20)19-10-7-6-8-11-19)22-23(28-15-17(2)14-18(3)16-28)26(33)29(24(22)31)12-13-34-4/h6-8,10-11,14-16H,5,9,12-13H2,1-4H3