tert-butyl 2-(4-methylsulfonyl-2-nitro-phenoxy)ethanoate

Systemtic Name: tert-butyl 2-(4-methylsulfonyl-2-nitro-phenoxy)ethanoate Openeye Name: tert-butyl 2-(4-methylsulfonyl-2-nitro-phenoxy)acetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenoxy)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methylsulfonyl-2-nitrophenoxy)acetate Traditional Name: 2-(4-mesyl-2-nitro-phenoxy)acetic acid tert-butyl ester Formula: C13H17NO7S MolecularWeight: 331.34158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO7S/c1-13(2,3)21-12(15)8-20-11-6-5-9(22(4,18)19)7-10(11)14(16)17/h5-7H,8H2,1-4H3