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

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(diethylamino)-2-oxo-1-phenyl-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(diethylamino)-2-oxo-1-phenylethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-4-21(5-2)19(23)18(14-9-7-6-8-10-14)29-20(24)15-11-12-17(30(3,27)28)16(13-15)22(25)26/h6-13,18H,4-5H2,1-3H3