1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-pyridin-2-yl-propane-1,3-dione

Systemtic Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-pyridin-2-yl-propane-1,3-dione Openeye Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitro-phenyl)-2-(2-pyridyl)propane-1,3-dione CAS Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-(2-pyridinyl)propane-1,3-dione IUPAC Name: 1-cyclopropyl-3-(4-methylsulfonyl-2-nitrophenyl)-2-pyridin-2-ylpropane-1,3-dione Traditional Name: 1-cyclopropyl-3-(4-mesyl-2-nitro-phenyl)-2-(2-pyridyl)propane-1,3-dione Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=CC=CC=N2)C(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C2=CC=CC=N2)C(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6S/c1-27(25,26)12-7-8-13(15(10-12)20(23)24)18(22)16(17(21)11-5-6-11)14-4-2-3-9-19-14/h2-4,7-11,16H,5-6H2,1H3