2-(2-methylpropyl)-3-oxidanylidene-5,6-diphenyl-pyridazine-4-carboxylate

Systemtic Name: 2-(2-methylpropyl)-3-oxidanylidene-5,6-diphenyl-pyridazine-4-carboxylate Openeye Name: 2-isobutyl-3-oxo-5,6-diphenyl-pyridazine-4-carboxylate CAS Name: 2-(2-methylpropyl)-3-oxo-5,6-diphenyl-4-pyridazinecarboxylate IUPAC Name: 2-(2-methylpropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxylate Traditional Name: 2-isobutyl-3-keto-5,6-diphenyl-pyridazine-4-carboxylate Formula: C21H19N2O3- MolecularWeight: 347.38716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H20N2O3/c1-14(2)13-23-20(24)18(21(25)26)17(15-9-5-3-6-10-15)19(22-23)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3,(H,25,26)/p-1