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

Systemtic Name: (2S)-4-(2-methylpropyl)-2-[(1S)-2-nitro-1-phenyl-ethyl]-2-phenyl-1,3-oxazol-5-one Openeye Name: (2S)-4-isobutyl-2-[(1S)-2-nitro-1-phenyl-ethyl]-2-phenyl-oxazol-5-one CAS Name: (2S)-4-(2-methylpropyl)-2-[(1S)-2-nitro-1-phenylethyl]-2-phenyl-5-oxazolone IUPAC Name: (2S)-4-(2-methylpropyl)-2-[(1S)-2-nitro-1-phenylethyl]-2-phenyl-1,3-oxazol-5-one Traditional Name: (2S)-4-isobutyl-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)CC1=NC(OC1=O)(C2=CC=CC=C2)C(C[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=N[C@@](OC1=O)(C2=CC=CC=C2)[C@H](C[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-15(2)13-19-20(24)27-21(22-19,17-11-7-4-8-12-17)18(14-23(25)26)16-9-5-3-6-10-16/h3-12,15,18H,13-14H2,1-2H3/t18-,21-/m1/s1