N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[4-nitro-2-(phenylmethyl)phenoxy]ethanamide

Systemtic Name: N-[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[4-nitro-2-(phenylmethyl)phenoxy]ethanamide Openeye Name: 2-(2-benzyl-4-nitro-phenoxy)-N-(3-methyl-1,1-dioxo-thiolan-3-yl)acetamide CAS Name: N-(3-methyl-1,1-dioxo-3-thiolanyl)-2-[4-nitro-2-(phenylmethyl)phenoxy]acetamide IUPAC Name: 2-(2-benzyl-4-nitrophenoxy)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide Traditional Name: 2-(2-benzyl-4-nitro-phenoxy)-N-(1,1-diketo-3-methyl-thiolan-3-yl)acetamide Formula: C20H22N2O6S MolecularWeight: 418.46348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O6S/c1-20(9-10-29(26,27)14-20)21-19(23)13-28-18-8-7-17(22(24)25)12-16(18)11-15-5-3-2-4-6-15/h2-8,12H,9-11,13-14H2,1H3,(H,21,23)