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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C)CC5CCCO5)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C)CC5CCCO5)[O-]

InChI

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