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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,3-dimethoxyphenyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C20H19NO8/c1-25-17-5-3-4-13(20(17)26-2)6-7-18(22)28-11-15-9-16(21(23)24)8-14-10-27-12-29-19(14)15/h3-9H,10-12H2,1-2H3/b7-6+