5-tert-butyl-2-(2,4-dinitrophenyl)-1,2-oxazol-3-one

Systemtic Name: 5-tert-butyl-2-(2,4-dinitrophenyl)-1,2-oxazol-3-one Openeye Name: 5-tert-butyl-2-(2,4-dinitrophenyl)isoxazol-3-one CAS Name: 5-tert-butyl-2-(2,4-dinitrophenyl)-3-isoxazolone IUPAC Name: 5-tert-butyl-2-(2,4-dinitrophenyl)-1,2-oxazol-3-one Traditional Name: 5-tert-butyl-2-(2,4-dinitrophenyl)-4-isoxazolin-3-one Formula: C13H13N3O6 MolecularWeight: 307.25882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N(O1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=O)N(O1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6/c1-13(2,3)11-7-12(17)14(22-11)9-5-4-8(15(18)19)6-10(9)16(20)21/h4-7H,1-3H3