5-(2-methylpropyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-(2-methylpropyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole Openeye Name: 5-isobutyl-4-nitro-3-phenyl-4,5-dihydroisoxazole CAS Name: 5-(2-methylpropyl)-4-nitro-3-phenyl-4,5-dihydroisoxazole IUPAC Name: 5-(2-methylpropyl)-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole Traditional Name: 5-isobutyl-4-nitro-3-phenyl-2-isoxazoline Formula: C13H16N2O3 MolecularWeight: 248.27774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(C(=NO1)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1C(C(=NO1)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O3/c1-9(2)8-11-13(15(16)17)12(14-18-11)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3