4-ethoxy-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-3-nitro-benzamide Formula: C20H22N2O6 MolecularWeight: 386.39848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C3CC(OC3=C2)C)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C=C3C[C@@H](OC3=C2)C)OCC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-4-26-17-7-6-13(9-16(17)22(24)25)20(23)21-15-11-18-14(8-12(3)28-18)10-19(15)27-5-2/h6-7,9-12H,4-5,8H2,1-3H3,(H,21,23)/t12-/m0/s1