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

Systemtic Name: (2S)-2-[(1S)-1-(4-methylphenyl)-2-nitro-ethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one Openeye Name: (2S)-4-isopropyl-2-[(1S)-2-nitro-1-(p-tolyl)ethyl]-2-phenyl-oxazol-5-one CAS Name: (2S)-2-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-2-phenyl-4-propan-2-yl-5-oxazolone IUPAC Name: (2S)-2-[(1S)-1-(4-methylphenyl)-2-nitroethyl]-2-phenyl-4-propan-2-yl-1,3-oxazol-5-one Traditional Name: (2S)-4-isopropyl-2-[(1S)-2-nitro-1-(p-tolyl)ethyl]-2-phenyl-3-oxazolin-5-one Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[N+](=O)[O-])C2(N=C(C(=O)O2)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C[N+](=O)[O-])[C@@]2(N=C(C(=O)O2)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-14(2)19-20(24)27-21(22-19,17-7-5-4-6-8-17)18(13-23(25)26)16-11-9-15(3)10-12-16/h4-12,14,18H,13H2,1-3H3/t18-,21-/m1/s1