tert-butyl N-[2-(5-nitropyridin-2-yl)sulfonylethyl]carbamate

Systemtic Name: tert-butyl N-[2-(5-nitropyridin-2-yl)sulfonylethyl]carbamate Openeye Name: tert-butyl N-[2-[(5-nitro-2-pyridyl)sulfonyl]ethyl]carbamate CAS Name: N-[2-[(5-nitro-2-pyridinyl)sulfonyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(5-nitropyridin-2-yl)sulfonylethyl]carbamate Traditional Name: N-[2-[(5-nitro-2-pyridyl)sulfonyl]ethyl]carbamic acid tert-butyl ester Formula: C12H17N3O6S MolecularWeight: 331.34488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCS(=O)(=O)C1=NC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCS(=O)(=O)C1=NC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O6S/c1-12(2,3)21-11(16)13-6-7-22(19,20)10-5-4-9(8-14-10)15(17)18/h4-5,8H,6-7H2,1-3H3,(H,13,16)