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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl (E)-3-(3-ethoxy-4-isobutoxy-phenyl)prop-2-enoate CAS Name: (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-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-(2-methylpropoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-isobutoxy-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:

CCOC1=C(C=CC(=C1)C=CC(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)OCC(C)C

InChI

InChI=1S/C24H27NO8/c1-4-30-22-9-17(5-7-21(22)31-12-16(2)3)6-8-23(26)32-14-19-11-20(25(27)28)10-18-13-29-15-33-24(18)19/h5-11,16H,4,12-15H2,1-3H3/b8-6+