N-(2-bromanyl-5-nitro-phenyl)-1,8,8-trimethyl-2,4-bis(oxidanylidene)-3-oxabicyclo[3.2.1]octane-5-carboxamide

Systemtic Name: N-(2-bromanyl-5-nitro-phenyl)-1,8,8-trimethyl-2,4-bis(oxidanylidene)-3-oxabicyclo[3.2.1]octane-5-carboxamide Openeye Name: N-(2-bromo-5-nitro-phenyl)-1,8,8-trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-5-carboxamide CAS Name: N-(2-bromo-5-nitrophenyl)-1,8,8-trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-5-carboxamide IUPAC Name: N-(2-bromo-5-nitrophenyl)-1,8,8-trimethyl-2,4-dioxo-3-oxabicyclo[3.2.1]octane-5-carboxamide Traditional Name: N-(2-bromo-5-nitro-phenyl)-2,4-diketo-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octane-5-carboxamide Formula: C17H17BrN2O6 MolecularWeight: 425.23068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCC1(C(=O)OC2=O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Br)C)C

Isomeric SMILES

CC1(C2(CCC1(C(=O)OC2=O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Br)C)C

InChI

InChI=1S/C17H17BrN2O6/c1-15(2)16(3)6-7-17(15,14(23)26-13(16)22)12(21)19-11-8-9(20(24)25)4-5-10(11)18/h4-5,8H,6-7H2,1-3H3,(H,19,21)