tert-butyl 4-nitro-3-[1-(phenylsulfonyl)ethyl]benzoate

Systemtic Name: tert-butyl 4-nitro-3-[1-(phenylsulfonyl)ethyl]benzoate Openeye Name: tert-butyl 3-[1-(benzenesulfonyl)ethyl]-4-nitro-benzoate CAS Name: 3-[1-(benzenesulfonyl)ethyl]-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[1-(benzenesulfonyl)ethyl]-4-nitrobenzoate Traditional Name: 3-(1-besylethyl)-4-nitro-benzoic acid tert-butyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO6S/c1-13(27(24,25)15-8-6-5-7-9-15)16-12-14(10-11-17(16)20(22)23)18(21)26-19(2,3)4/h5-13H,1-4H3