4-[1-(3,4-dichlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propan-2-yl-pyrrol-2-olate

Systemtic Name: 4-[1-(3,4-dichlorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-propan-2-yl-pyrrol-2-olate Openeye Name: 4-[1-(3,4-dichlorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-1-isopropyl-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(3,4-dichlorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-1-propan-2-yl-2-pyrrololate IUPAC Name: 4-[1-(3,4-dichlorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-propan-2-ylpyrrol-2-olate Traditional Name: 4-[1-(3,4-dichlorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-1-isopropyl-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C25H24Cl2N4O3 MolecularWeight: 499.38906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24Cl2N4O3/c1-5-7-19-20(24(33)31(28-19)16-9-10-17(26)18(27)12-16)21-22(29-11-6-8-15(4)13-29)25(34)30(14(2)3)23(21)32/h6,8-14H,5,7H2,1-4H3