N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(3-nitrophenoxy)ethanamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(3-nitrophenoxy)ethanamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(3-nitrophenoxy)acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(3-nitrophenoxy)acetamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(3-nitrophenoxy)acetamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-(3-nitrophenoxy)acetamide Formula: C20H22N2O6 MolecularWeight: 386.39848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-3-26-18-8-14-7-13(2)28-19(14)9-15(18)11-21-20(23)12-27-17-6-4-5-16(10-17)22(24)25/h4-6,8-10,13H,3,7,11-12H2,1-2H3,(H,21,23)/t13-/m0/s1