(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-ethoxy-4-propoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-propoxyphenyl)-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-(3-ethoxy-4-propoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H25NO8 MolecularWeight: 443.4465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

InChI

InChI=1S/C23H25NO8/c1-3-9-30-20-7-5-16(10-21(20)29-4-2)6-8-22(25)31-14-18-12-19(24(26)27)11-17-13-28-15-32-23(17)18/h5-8,10-12H,3-4,9,13-15H2,1-2H3/b8-6+