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

Systemtic Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxo-4-pyrazolylidene]-5-oxo-1-(2-oxolanylmethyl)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-oxopyrazol-4-ylidene]-5-oxo-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-3-ethyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C25H23ClN4O4 MolecularWeight: 478.92752

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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)C5=CC(=CC=C5)Cl

Isomeric SMILES

CCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC3CCCO3)[O-])[N+]4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H23ClN4O4/c1-2-19-20(24(32)30(27-19)17-9-6-8-16(26)14-17)21-22(28-11-4-3-5-12-28)25(33)29(23(21)31)15-18-10-7-13-34-18/h3-6,8-9,11-12,14,18H,2,7,10,13,15H2,1H3