4-[5-tert-butyl-4-[(4-methylphenoxy)methyl]-3-oxidanylidene-1,2-oxazol-2-yl]-N-hexadecyl-3-nitro-benzamide

Systemtic Name: 4-[5-tert-butyl-4-[(4-methylphenoxy)methyl]-3-oxidanylidene-1,2-oxazol-2-yl]-N-hexadecyl-3-nitro-benzamide Openeye Name: 4-[5-tert-butyl-4-[(4-methylphenoxy)methyl]-3-oxo-isoxazol-2-yl]-N-hexadecyl-3-nitro-benzamide CAS Name: 4-[5-tert-butyl-4-[(4-methylphenoxy)methyl]-3-oxo-2-isoxazolyl]-N-hexadecyl-3-nitrobenzamide IUPAC Name: 4-[5-tert-butyl-4-[(4-methylphenoxy)methyl]-3-oxo-1,2-oxazol-2-yl]-N-hexadecyl-3-nitrobenzamide Traditional Name: 4-[5-tert-butyl-3-keto-4-[(4-methylphenoxy)methyl]-4-isoxazolin-2-yl]-N-cetyl-3-nitro-benzamide Formula: C38H55N3O6 MolecularWeight: 649.8598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)COC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=CC(=C(C=C1)N2C(=O)C(=C(O2)C(C)(C)C)COC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C38H55N3O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-39-36(42)30-22-25-33(34(27-30)41(44)45)40-37(43)32(35(47-40)38(3,4)5)28-46-31-23-20-29(2)21-24-31/h20-25,27H,6-19,26,28H2,1-5H3,(H,39,42)