N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2-nitro-phenoxy)acetamide CAS Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2-nitrophenoxy)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2-nitrophenoxy)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-2-nitro-phenoxy)acetamide Formula: C20H19N3O7 MolecularWeight: 413.38076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7/c1-27-15-4-6-17(16(12-15)23(25)26)30-13-20(24)22(8-2-7-21)14-3-5-18-19(11-14)29-10-9-28-18/h3-6,11-12H,2,8-10,13H2,1H3