tert-butyl N-methylcarbamate; butyl 4-nitrobenzenesulfonate

Systemtic Name: tert-butyl N-methylcarbamate; butyl 4-nitrobenzenesulfonate Openeye Name: tert-butyl N-methylcarbamate; butyl 4-nitrobenzenesulfonate CAS Name: N-methylcarbamic acid tert-butyl ester; 4-nitrobenzenesulfonic acid butyl ester IUPAC Name: tert-butyl N-methylcarbamate; butyl 4-nitrobenzenesulfonate Traditional Name: N-methylcarbamic acid tert-butyl ester; 4-nitrobenzenesulfonic acid butyl ester Formula: C16H26N2O7S MolecularWeight: 390.45184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO5S.C6H13NO2/c1-2-3-8-16-17(14,15)10-6-4-9(5-7-10)11(12)13;1-6(2,3)9-5(8)7-4/h4-7H,2-3,8H2,1H3;1-4H3,(H,7,8)