tert-butyl N-(3-fluoranyl-4-morpholin-4-yl-phenyl)-N-(3-nitro-2-oxidanyl-propyl)carbamate

Systemtic Name: tert-butyl N-(3-fluoranyl-4-morpholin-4-yl-phenyl)-N-(3-nitro-2-oxidanyl-propyl)carbamate Openeye Name: tert-butyl N-(3-fluoro-4-morpholino-phenyl)-N-(2-hydroxy-3-nitro-propyl)carbamate CAS Name: N-[3-fluoro-4-(4-morpholinyl)phenyl]-N-(2-hydroxy-3-nitropropyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-fluoro-4-morpholin-4-ylphenyl)-N-(2-hydroxy-3-nitropropyl)carbamate Traditional Name: N-(3-fluoro-4-morpholino-phenyl)-N-(2-hydroxy-3-nitro-propyl)carbamic acid tert-butyl ester Formula: C18H26FN3O6 MolecularWeight: 399.413943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(C[N+](=O)[O-])O)C1=CC(=C(C=C1)N2CCOCC2)F

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(C[N+](=O)[O-])O)C1=CC(=C(C=C1)N2CCOCC2)F

InChI

InChI=1S/C18H26FN3O6/c1-18(2,3)28-17(24)21(11-14(23)12-22(25)26)13-4-5-16(15(19)10-13)20-6-8-27-9-7-20/h4-5,10,14,23H,6-9,11-12H2,1-3H3