tert-butyl N-hexyl-N-[4-[methyl-(2-nitrophenoxy)carbonyl-amino]oxyphenyl]carbamate

Systemtic Name: tert-butyl N-hexyl-N-[4-[methyl-(2-nitrophenoxy)carbonyl-amino]oxyphenyl]carbamate Openeye Name: (2-nitrophenyl) N-[4-[tert-butoxycarbonyl(hexyl)amino]phenoxy]-N-methyl-carbamate CAS Name: N-hexyl-N-[4-[methyl-[(2-nitrophenoxy)-oxomethyl]amino]oxyphenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-hexyl-N-[4-[methyl-(2-nitrophenoxy)carbonylamino]oxyphenyl]carbamate Traditional Name: N-[4-[tert-butoxycarbonyl(hexyl)amino]phenoxy]-N-methyl-carbamic acid (2-nitrophenyl) ester Formula: C25H33N3O7 MolecularWeight: 487.54542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=CC=C(C=C1)ON(C)C(=O)OC2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCN(C1=CC=C(C=C1)ON(C)C(=O)OC2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C25H33N3O7/c1-6-7-8-11-18-27(24(30)34-25(2,3)4)19-14-16-20(17-15-19)35-26(5)23(29)33-22-13-10-9-12-21(22)28(31)32/h9-10,12-17H,6-8,11,18H2,1-5H3