(2S)-4-tert-butyl-2-[(1S)-2-nitro-1-phenyl-ethyl]-2-phenyl-1,3-oxazol-5-one

Systemtic Name: (2S)-4-tert-butyl-2-[(1S)-2-nitro-1-phenyl-ethyl]-2-phenyl-1,3-oxazol-5-one Openeye Name: (2S)-4-tert-butyl-2-[(1S)-2-nitro-1-phenyl-ethyl]-2-phenyl-oxazol-5-one CAS Name: (2S)-4-tert-butyl-2-[(1S)-2-nitro-1-phenylethyl]-2-phenyl-5-oxazolone IUPAC Name: (2S)-4-tert-butyl-2-[(1S)-2-nitro-1-phenylethyl]-2-phenyl-1,3-oxazol-5-one Traditional Name: (2S)-4-tert-butyl-2-[(1S)-2-nitro-1-phenyl-ethyl]-2-phenyl-3-oxazolin-5-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(OC1=O)(C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=N[C@@](OC1=O)(C2=CC=CC=C2)[C@H](C[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-20(2,3)18-19(24)27-21(22-18,16-12-8-5-9-13-16)17(14-23(25)26)15-10-6-4-7-11-15/h4-13,17H,14H2,1-3H3/t17-,21-/m1/s1