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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: 3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)acrylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H27NO8 MolecularWeight: 457.47308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC

InChI

InChI=1S/C24H27NO8/c1-3-5-10-31-21-8-6-17(11-22(21)30-4-2)7-9-23(26)32-15-19-13-20(25(27)28)12-18-14-29-16-33-24(18)19/h6-9,11-13H,3-5,10,14-16H2,1-2H3