tert-butyl N-(1-nitro-2-oxidanyl-4-phenyl-butyl)carbamate

Systemtic Name: tert-butyl N-(1-nitro-2-oxidanyl-4-phenyl-butyl)carbamate Openeye Name: tert-butyl N-(2-hydroxy-1-nitro-4-phenyl-butyl)carbamate CAS Name: N-(2-hydroxy-1-nitro-4-phenylbutyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-hydroxy-1-nitro-4-phenylbutyl)carbamate Traditional Name: N-(2-hydroxy-1-nitro-4-phenyl-butyl)carbamic acid tert-butyl ester Formula: C15H22N2O5 MolecularWeight: 310.34558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(CCC1=CC=CC=C1)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(CCC1=CC=CC=C1)O)[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)16-13(17(20)21)12(18)10-9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3,(H,16,19)