(4E)-4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-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)-5-oxidanylidene-3-propan-2-yl-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-isopropyl-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)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-5-oxo-1-(2-oxolanylmethyl)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-5-oxo-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C26H25ClN4O4 MolecularWeight: 492.9541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C\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/C26H25ClN4O4/c1-16(2)22-20(25(33)31(28-22)18-9-6-8-17(27)14-18)21-23(29-11-4-3-5-12-29)26(34)30(24(21)32)15-19-10-7-13-35-19/h3-6,8-9,11-12,14,16,19H,7,10,13,15H2,1-2H3