tert-butyl N-[(2S,4R)-1-(4-methoxyphenyl)-5-nitro-4-oxidanyl-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,4R)-1-(4-methoxyphenyl)-5-nitro-4-oxidanyl-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-4-nitro-butyl]carbamate CAS Name: N-[(2S,4R)-4-hydroxy-1-(4-methoxyphenyl)-5-nitropentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,4R)-4-hydroxy-1-(4-methoxyphenyl)-5-nitropentan-2-yl]carbamate Traditional Name: N-[(1S,3R)-3-hydroxy-4-nitro-1-p-anisyl-butyl]carbamic acid tert-butyl ester Formula: C17H26N2O6 MolecularWeight: 354.39814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC)CC(C[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC)C[C@H](C[N+](=O)[O-])O

InChI

InChI=1S/C17H26N2O6/c1-17(2,3)25-16(21)18-13(10-14(20)11-19(22)23)9-12-5-7-15(24-4)8-6-12/h5-8,13-14,20H,9-11H2,1-4H3,(H,18,21)/t13-,14+/m0/s1