(6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4,5-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-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4,5-dimethoxy-phenyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H18ClNO8 MolecularWeight: 435.81182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO8/c1-26-17-6-12(5-16(21)20(17)27-2)3-4-18(23)29-10-14-8-15(22(24)25)7-13-9-28-11-30-19(13)14/h3-8H,9-11H2,1-2H3/b4-3+