2-(2-methyl-4-oxidanylidene-pentan-2-yl)-4-(4-nitrophenyl)-5-oxidanyl-1,2-oxazol-3-one

Systemtic Name: 2-(2-methyl-4-oxidanylidene-pentan-2-yl)-4-(4-nitrophenyl)-5-oxidanyl-1,2-oxazol-3-one Openeye Name: 2-(1,1-dimethyl-3-oxo-butyl)-5-hydroxy-4-(4-nitrophenyl)isoxazol-3-one CAS Name: 5-hydroxy-2-(2-methyl-4-oxopentan-2-yl)-4-(4-nitrophenyl)-3-isoxazolone IUPAC Name: 5-hydroxy-2-(2-methyl-4-oxopentan-2-yl)-4-(4-nitrophenyl)-1,2-oxazol-3-one Traditional Name: 5-hydroxy-2-(3-keto-1,1-dimethyl-butyl)-4-(4-nitrophenyl)-4-isoxazolin-3-one Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)N1C(=O)C(=C(O1)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC(C)(C)N1C(=O)C(=C(O1)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O6/c1-9(18)8-15(2,3)16-13(19)12(14(20)23-16)10-4-6-11(7-5-10)17(21)22/h4-7,20H,8H2,1-3H3