[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO7S/c1-11-4-6-13(7-5-11)17(20)12(2)26-18(21)14-8-9-16(27(3,24)25)15(10-14)19(22)23/h4-10,12H,1-3H3/t12-/m1/s1