tert-butyl (2S)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[(5-nitro-2-oxidanyl-phenyl)methylamino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[(2-hydroxy-5-nitro-phenyl)methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-hydroxy-5-nitrophenyl)methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-hydroxy-5-nitro-benzyl)amino]-3-phenyl-propionic acid tert-butyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=CC=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=CC=C1)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C20H24N2O5/c1-20(2,3)27-19(24)17(11-14-7-5-4-6-8-14)21-13-15-12-16(22(25)26)9-10-18(15)23/h4-10,12,17,21,23H,11,13H2,1-3H3/t17-/m0/s1