4-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate

Systemtic Name: 4-[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propyl-pyrrol-2-olate Openeye Name: 4-[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxo-1-propyl-pyrrol-2-olate CAS Name: 4-[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-3-(4-ethyl-1-pyridin-1-iumyl)-5-oxo-1-propyl-2-pyrrololate IUPAC Name: 4-[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-oxo-1-propylpyrrol-2-olate Traditional Name: 4-[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-3-(4-ethylpyridin-1-ium-1-yl)-5-keto-1-propyl-2-pyrrolin-2-olate Formula: C24H23ClN4O3 MolecularWeight: 450.91742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)C1=O)[N+]4=CC=C(C=C4)CC)[O-]

Isomeric SMILES

CCCN1C(=C(C(=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)C1=O)[N+]4=CC=C(C=C4)CC)[O-]

InChI

InChI=1S/C24H23ClN4O3/c1-4-12-28-22(30)20(21(24(28)32)27-13-10-16(5-2)11-14-27)19-15(3)26-29(23(19)31)18-8-6-17(25)7-9-18/h6-11,13-14H,4-5,12H2,1-3H3