tert-butyl N-[(2S)-1-(5-azanyl-2-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(5-azanyl-2-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(5-amino-4-benzyloxy-2-nitro-phenyl)methyl]-2-hydroxy-ethyl]carbamate CAS Name: N-[(2S)-1-(5-amino-2-nitro-4-phenylmethoxyphenyl)-3-hydroxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(5-amino-2-nitro-4-phenylmethoxyphenyl)-3-hydroxypropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(5-amino-4-benzoxy-2-nitro-benzyl)-2-hydroxy-ethyl]carbamic acid tert-butyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)N)CO

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=C(C=C1[N+](=O)[O-])OCC2=CC=CC=C2)N)CO

InChI

InChI=1S/C21H27N3O6/c1-21(2,3)30-20(26)23-16(12-25)9-15-10-17(22)19(11-18(15)24(27)28)29-13-14-7-5-4-6-8-14/h4-8,10-11,16,25H,9,12-13,22H2,1-3H3,(H,23,26)/t16-/m0/s1