[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7S/c1-19(2)17(21)16(12-7-5-4-6-8-12)27-18(22)13-9-10-15(28(3,25)26)14(11-13)20(23)24/h4-11,16H,1-3H3