N-[4-(4-bromanyl-2-methyl-3-oxidanylidene-butan-2-yl)oxy-3-nitro-phenyl]methanesulfonamide

Systemtic Name: N-[4-(4-bromanyl-2-methyl-3-oxidanylidene-butan-2-yl)oxy-3-nitro-phenyl]methanesulfonamide Openeye Name: N-[4-(3-bromo-1,1-dimethyl-2-oxo-propoxy)-3-nitro-phenyl]methanesulfonamide CAS Name: N-[4-(4-bromo-2-methyl-3-oxobutan-2-yl)oxy-3-nitrophenyl]methanesulfonamide IUPAC Name: N-[4-(4-bromo-2-methyl-3-oxobutan-2-yl)oxy-3-nitrophenyl]methanesulfonamide Traditional Name: N-[4-(3-bromo-2-keto-1,1-dimethyl-propoxy)-3-nitro-phenyl]methanesulfonamide Formula: C12H15BrN2O6S MolecularWeight: 395.2263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CBr)OC1=C(C=C(C=C1)NS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)CBr)OC1=C(C=C(C=C1)NS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15BrN2O6S/c1-12(2,11(16)7-13)21-10-5-4-8(14-22(3,19)20)6-9(10)15(17)18/h4-6,14H,7H2,1-3H3