4-[1-(3,4-dichlorophenyl)-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: 4-[1-(3,4-dichlorophenyl)-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: 4-[1-(3,4-dichlorophenyl)-3-isopropyl-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)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-5-oxo-1-(2-oxolanylmethyl)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 4-[1-(3,4-dichlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-5-oxo-1-(oxolan-2-ylmethyl)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 4-[1-(3,4-dichlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-1-(tetrahydrofurfuryl)-2-pyrrolin-2-olate Formula: C26H24Cl2N4O4 MolecularWeight: 527.39916

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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(=C(C=C5)Cl)Cl

Isomeric SMILES

CC(C)C1=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/C26H24Cl2N4O4/c1-15(2)22-20(25(34)32(29-22)16-8-9-18(27)19(28)13-16)21-23(30-10-4-3-5-11-30)26(35)31(24(21)33)14-17-7-6-12-36-17/h3-5,8-11,13,15,17H,6-7,12,14H2,1-2H3