1-(5-nitro-1-undecyl-benzo[e][1]benzofuran-2-yl)ethanone

Systemtic Name: 1-(5-nitro-1-undecyl-benzo[e][1]benzofuran-2-yl)ethanone Openeye Name: 1-(5-nitro-1-undecyl-benzo[e]benzofuran-2-yl)ethanone CAS Name: 1-(5-nitro-1-undecyl-2-benzo[e]benzofuranyl)ethanone IUPAC Name: 1-(5-nitro-1-undecylbenzo[e][1]benzofuran-2-yl)ethanone Traditional Name: 1-(5-nitro-1-undecyl-benzo[e]benzofuran-2-yl)ethanone Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(OC2=C1C3=CC=CC=C3C(=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CCCCCCCCCCCC1=C(OC2=C1C3=CC=CC=C3C(=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C25H31NO4/c1-3-4-5-6-7-8-9-10-11-16-21-24-20-15-13-12-14-19(20)22(26(28)29)17-23(24)30-25(21)18(2)27/h12-15,17H,3-11,16H2,1-2H3