4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: 4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: 4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-5-oxo-1-(2-oxolanylmethyl)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(3,4-dichlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-oxo-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(3,4-dichlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C24H20Cl2N4O4 MolecularWeight: 499.346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3CCCO3)[O-])[N+]4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3CCCO3)[O-])[N+]4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C24H20Cl2N4O4/c1-14-19(23(32)30(27-14)15-7-8-17(25)18(26)12-15)20-21(28-9-3-2-4-10-28)24(33)29(22(20)31)13-16-6-5-11-34-16/h2-4,7-10,12,16H,5-6,11,13H2,1H3