tert-butyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoate

Systemtic Name: tert-butyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanoate Openeye Name: tert-butyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)acetate CAS Name: 2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetate Traditional Name: 2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)acetic acid tert-butyl ester Formula: C16H22N2O7S MolecularWeight: 386.42008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O7S/c1-16(2,3)25-15(19)11-24-14-7-6-12(10-13(14)18(20)21)26(22,23)17-8-4-5-9-17/h6-7,10H,4-5,8-9,11H2,1-3H3