(4E)-1-(2-methylpropyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-1-(2-methylpropyl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-isobutyl-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-(2-methylpropyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-(2-methylpropyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-isobutyl-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H26N4O3/c1-16(2)15-28-23(30)20(22(25(28)32)27-13-9-6-10-14-27)19-21(17(3)4)26-29(24(19)31)18-11-7-5-8-12-18/h5-14,16-17H,15H2,1-4H3