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

Systemtic Name: 5-tert-butyl-4-(hydroxymethyl)-2-(4-methyl-2-nitro-phenyl)-1,2-oxazol-3-one; N-octadecylmethanamide Openeye Name: 5-tert-butyl-4-(hydroxymethyl)-2-(4-methyl-2-nitro-phenyl)isoxazol-3-one; N-octadecylformamide CAS Name: 5-tert-butyl-4-(hydroxymethyl)-2-(4-methyl-2-nitrophenyl)-3-isoxazolone; N-octadecylformamide IUPAC Name: 5-tert-butyl-4-(hydroxymethyl)-2-(4-methyl-2-nitrophenyl)-1,2-oxazol-3-one; N-octadecylformamide Traditional Name: 5-tert-butyl-2-(4-methyl-2-nitro-phenyl)-4-methylol-4-isoxazolin-3-one; N-stearylformamide Formula: C34H57N3O6 MolecularWeight: 603.83288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H39NO.C15H18N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21;1-9-5-6-11(12(7-9)17(20)21)16-14(19)10(8-18)13(22-16)15(2,3)4/h19H,2-18H2,1H3,(H,20,21);5-7,18H,8H2,1-4H3