4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-2-olate

Systemtic Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(oxolan-2-ylmethyl)pyrrol-2-olate Openeye Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-1-(2-oxolanylmethyl)-2-pyrrololate IUPAC Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrol-2-olate Traditional Name: 4-[1-(3-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C26H25ClN4O4 MolecularWeight: 492.9541

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3CCCO3)[O-])[N+]4=CC=CC(=C4)C)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3CCCO3)[O-])[N+]4=CC=CC(=C4)C)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C26H25ClN4O4/c1-3-20-21(25(33)31(28-20)18-9-4-8-17(27)13-18)22-23(29-11-5-7-16(2)14-29)26(34)30(24(22)32)15-19-10-6-12-35-19/h4-5,7-9,11,13-14,19H,3,6,10,12,15H2,1-2H3