tert-butyl N-[4-[[5-butyl-2-(4-methyl-2-nitro-phenyl)-3-oxidanylidene-1,2-oxazol-4-yl]methoxy]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[[5-butyl-2-(4-methyl-2-nitro-phenyl)-3-oxidanylidene-1,2-oxazol-4-yl]methoxy]phenyl]carbamate Openeye Name: tert-butyl N-[4-[[5-butyl-2-(4-methyl-2-nitro-phenyl)-3-oxo-isoxazol-4-yl]methoxy]phenyl]carbamate CAS Name: N-[4-[[5-butyl-2-(4-methyl-2-nitrophenyl)-3-oxo-4-isoxazolyl]methoxy]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[[5-butyl-2-(4-methyl-2-nitrophenyl)-3-oxo-1,2-oxazol-4-yl]methoxy]phenyl]carbamate Traditional Name: N-[4-[[5-butyl-3-keto-2-(4-methyl-2-nitro-phenyl)-4-isoxazolin-4-yl]methoxy]phenyl]carbamic acid tert-butyl ester Formula: C26H31N3O7 MolecularWeight: 497.54024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(O1)C2=C(C=C(C=C2)C)[N+](=O)[O-])COC3=CC=C(C=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=C(C(=O)N(O1)C2=C(C=C(C=C2)C)[N+](=O)[O-])COC3=CC=C(C=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H31N3O7/c1-6-7-8-23-20(24(30)28(36-23)21-14-9-17(2)15-22(21)29(32)33)16-34-19-12-10-18(11-13-19)27-25(31)35-26(3,4)5/h9-15H,6-8,16H2,1-5H3,(H,27,31)