(4E)-4-[1-(3-chlorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-(2-methylpropyl)-5-oxidanylidene-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]-1-(2-methylpropyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(3-chlorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-1-isobutyl-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-1-(2-methylpropyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(3-chlorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-1-(2-methylpropyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(3-chlorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-1-isobutyl-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C25H25ClN4O3 MolecularWeight: 464.944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C(=C2C(=NN(C2=O)C3=CC(=CC=C3)Cl)C(C)C)C1=O)[N+]4=CC=CC=C4)[O-]

Isomeric SMILES

CC(C)CN1C(=C(/C(=C\2/C(=NN(C2=O)C3=CC(=CC=C3)Cl)C(C)C)/C1=O)[N+]4=CC=CC=C4)[O-]

InChI

InChI=1S/C25H25ClN4O3/c1-15(2)14-29-23(31)20(22(25(29)33)28-11-6-5-7-12-28)19-21(16(3)4)27-30(24(19)32)18-10-8-9-17(26)13-18/h5-13,15-16H,14H2,1-4H3