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

Systemtic Name: 5-tert-butyl-2-(4-nitrophenyl)-1,2-oxazol-3-one Openeye Name: 5-tert-butyl-2-(4-nitrophenyl)isoxazol-3-one CAS Name: 5-tert-butyl-2-(4-nitrophenyl)-3-isoxazolone IUPAC Name: 5-tert-butyl-2-(4-nitrophenyl)-1,2-oxazol-3-one Traditional Name: 5-tert-butyl-2-(4-nitrophenyl)-4-isoxazolin-3-one Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-13(2,3)11-8-12(16)14(19-11)9-4-6-10(7-5-9)15(17)18/h4-8H,1-3H3