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

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-phenyl-pyrrol-2-olate Openeye Name: 3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)-1-phenyl-pyrrol-2-olate CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)-1-phenyl-2-pyrrololate IUPAC Name: 3-(3-ethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)-1-phenylpyrrol-2-olate Traditional Name: 3-(3-ethylpyridin-1-ium-1-yl)-5-keto-4-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)-1-phenyl-2-pyrrolin-2-olate Formula: C29H26N4O3 MolecularWeight: 478.54174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC=C3)[O-])[N+]4=CC=CC(=C4)CC)C5=CC=CC=C5

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC=C3)[O-])[N+]4=CC=CC(=C4)CC)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3/c1-3-12-23-24(28(35)33(30-23)22-16-9-6-10-17-22)25-26(31-18-11-13-20(4-2)19-31)29(36)32(27(25)34)21-14-7-5-8-15-21/h5-11,13-19H,3-4,12H2,1-2H3