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

Systemtic Name: 5-tert-butyl-4-(hydroxymethyl)-2-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one Openeye Name: 5-tert-butyl-4-(hydroxymethyl)-2-(4-methyl-2-nitro-phenyl)isoxazol-3-one CAS Name: 5-tert-butyl-4-(hydroxymethyl)-2-(4-methyl-2-nitrophenyl)-3-isoxazolone IUPAC Name: 5-tert-butyl-4-(hydroxymethyl)-2-(4-methyl-2-nitrophenyl)-1,2-oxazol-3-one Traditional Name: 5-tert-butyl-2-(4-methyl-2-nitro-phenyl)-4-methylol-4-isoxazolin-3-one Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O5/c1-9-5-6-11(12(7-9)17(20)21)16-14(19)10(8-18)13(22-16)15(2,3)4/h5-7,18H,8H2,1-4H3