(2S)-2-[(1S)-1-(4-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one

Systemtic Name: (2S)-2-[(1S)-1-(4-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one Openeye Name: (2S)-4-isopropyl-2-[(1S)-1-(4-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-oxazol-5-one CAS Name: (2S)-2-[(1S)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenyl-4-propan-2-yl-5-oxazolone IUPAC Name: (2S)-2-[(1S)-1-(4-methoxyphenyl)-2-nitroethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one Traditional Name: (2S)-4-isopropyl-2-[(1S)-1-(4-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-3-oxazolin-5-one Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-14(2)19-20(24)28-21(22-19,16-7-5-4-6-8-16)18(13-23(25)26)15-9-11-17(27-3)12-10-15/h4-12,14,18H,13H2,1-3H3/t18-,21-/m1/s1