5-tert-butyl-2-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one

Systemtic Name: 5-tert-butyl-2-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one Openeye Name: 5-tert-butyl-2-(4-methyl-2-nitro-phenyl)isoxazol-3-one CAS Name: 5-tert-butyl-2-(4-methyl-2-nitrophenyl)-3-isoxazolone IUPAC Name: 5-tert-butyl-2-(4-methyl-2-nitrophenyl)-1,2-oxazol-3-one Traditional Name: 5-tert-butyl-2-(4-methyl-2-nitro-phenyl)-4-isoxazolin-3-one Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C=C(O2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C=C(O2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O4/c1-9-5-6-10(11(7-9)16(18)19)15-13(17)8-12(20-15)14(2,3)4/h5-8H,1-4H3