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

Systemtic Name: tert-butyl N-[(2S)-1-(3-acetamido-2-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(3-acetamido-4-benzyloxy-2-nitro-phenyl)methyl]-2-hydroxy-ethyl]carbamate CAS Name: N-[(2S)-1-(3-acetamido-2-nitro-4-phenylmethoxyphenyl)-3-hydroxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(3-acetamido-2-nitro-4-phenylmethoxyphenyl)-3-hydroxypropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(3-acetamido-4-benzoxy-2-nitro-benzyl)-2-hydroxy-ethyl]carbamic acid tert-butyl ester Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1[N+](=O)[O-])CC(CO)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1[N+](=O)[O-])C[C@@H](CO)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O7/c1-15(28)24-20-19(32-14-16-8-6-5-7-9-16)11-10-17(21(20)26(30)31)12-18(13-27)25-22(29)33-23(2,3)4/h5-11,18,27H,12-14H2,1-4H3,(H,24,28)(H,25,29)/t18-/m0/s1