(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18N2O8 MolecularWeight: 426.37622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC#N

InChI

InChI=1S/C21H18N2O8/c1-27-19-8-14(2-4-18(19)29-7-6-22)3-5-20(24)30-12-16-10-17(23(25)26)9-15-11-28-13-31-21(15)16/h2-5,8-10H,7,11-13H2,1H3/b5-3+