(3S)-3-(4-methoxyphenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-phenyl-butan-1-one

Systemtic Name: (3S)-3-(4-methoxyphenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-phenyl-butan-1-one Openeye Name: (3S)-3-(4-methoxyphenyl)-4-(3-methyl-4-nitro-isoxazol-5-yl)-1-phenyl-butan-1-one CAS Name: (3S)-3-(4-methoxyphenyl)-4-(3-methyl-4-nitro-5-isoxazolyl)-1-phenyl-1-butanone IUPAC Name: (3S)-3-(4-methoxyphenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)-1-phenylbutan-1-one Traditional Name: (3S)-3-(4-methoxyphenyl)-4-(3-methyl-4-nitro-isoxazol-5-yl)-1-phenyl-butan-1-one Formula: C21H20N2O5 MolecularWeight: 380.3939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NOC(=C1[N+](=O)[O-])C[C@@H](CC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O5/c1-14-21(23(25)26)20(28-22-14)13-17(15-8-10-18(27-2)11-9-15)12-19(24)16-6-4-3-5-7-16/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1